From: Mark Abraham Date: Tue, 27 Nov 2012 13:02:57 +0000 (+0100) Subject: Update copyright statements and change license to LGPL X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=e6cd064af2032c3e2c9b05dc95dd4651700d5691;p=alexxy%2Fgromacs.git Update copyright statements and change license to LGPL * I have followed http://www.gnu.org/licenses/gpl-howto.html * Copyright is asserted for 2012 (which is needed for the license to have any effect) * Mostly that meant amending the previous statements, most of which had no legal force anyway (e.g. using "2001-2004" requires that you spell out that you really mean every year in between is a copyrightable year) * Many files had no copyright on them; now they do * Licensing is now LGPL v2.1 (or later). Unfortunately a CPack limitation means we have to use just one file for all our licensing statements. That's not great, but it will do. * Previous copyright statements are intact * External code used under license retains that license statement in the code * Changes were made with a Perl script so this pain is not so bad next time * The copyright comment no longer names a specific version, so that we don't spam the git log for no real purpose. * Removed some remaining emacs editor lines, CVS tags and GROMACS acronym generator spam * Some code areas are not yet relicensed, pending anticipated updates e.g. AdResS kernels * Group kernels have been regenerated so that both the templates and the code all bear the copyright - this will continue to occur for new kernel sets * No duplicate copyright statements on essentially unmodified GPU memtest code used under license * No duplicate copyright statements on unmodified thread_mpi code * Don't bother licensing cmake/*.c files * Don't bother licensing anything in share subdirectory The following things we will fix after 4.6-beta1 * TODO vectype_ops.cuh probably from CUDA SDK needs attribution * TODO fix licensing statements for things we have stolen from CMake * TODO fix things under admin, scripts Change-Id: I1c507b3feb9ec97d02c87d73cc66cfd5f7381c23 --- diff --git a/CMakeLists.txt b/CMakeLists.txt index be6701bdd9..9a83c33bed 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. 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Here is a sample; alter the names: + + Yoyodyne, Inc., hereby disclaims all copyright interest in the + library `Frob' (a library for tweaking knobs) written by James Random Hacker. + + , 1 April 1990 + Ty Coon, President of Vice + +That's all there is to it! + +============================================ GNU GENERAL PUBLIC LICENSE Version 2, June 1991 - Copyright (C) 1989, 1991 Free Software Foundation, Inc. - 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. + Copyright (C) 1989, 1991 Free Software Foundation, Inc., + 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA + Everyone is permitted to copy and distribute verbatim copies + of this license document, but changing it is not allowed. Preamble @@ -36,7 +555,7 @@ software--to make sure the software is free for all its users. This General Public License applies to most of the Free Software Foundation's software and to any other program whose authors commit to using it. (Some other Free Software Foundation software is covered by -the GNU Library General Public License instead.) You can apply it to +the GNU Lesser General Public License instead.) You can apply it to your programs, too. When we speak of free software, we are referring to freedom, not @@ -312,7 +831,7 @@ convey the exclusion of warranty; and each file should have at least the "copyright" line and a pointer to where the full notice is found. - Copyright (C) 19yy + Copyright (C) This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by @@ -324,17 +843,16 @@ the "copyright" line and a pointer to where the full notice is found. MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. - You should have received a copy of the GNU General Public License - along with this program; if not, write to the Free Software - Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA - + You should have received a copy of the GNU General Public License along + with this program; if not, write to the Free Software Foundation, Inc., + 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Also add information on how to contact you by electronic and paper mail. If the program is interactive, make it output a short notice like this when it starts in an interactive mode: - Gnomovision version 69, Copyright (C) 19yy name of author + Gnomovision version 69, Copyright (C) year name of author Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'. This is free software, and you are welcome to redistribute it under certain conditions; type `show c' for details. @@ -357,11 +875,10 @@ necessary. Here is a sample; alter the names: This General Public License does not permit incorporating your program into proprietary programs. If your program is a subroutine library, you may consider it more useful to permit linking proprietary applications with the -library. If this is what you want to do, use the GNU Library General +library. If this is what you want to do, use the GNU Lesser General Public License instead of this License. - -2. Trajectory file reading using VMD plugins +2. Trajectory file reading using VMD plugins ============================================ Files: include/molfile_plugin.h @@ -445,10 +962,10 @@ fftpack.c : A set of FFT routines in C. Algorithmically based on Fortran-77 FFTPACK by Paul N. Swarztrauber (Version 4, 1985). 4. The memtestG80 library -========================= +========================= -The memtestG80 library, written by Imran Haque, is Copyright 2009 Stanford University, -covered by the LGPL license. It may be used under the following terms: +The memtestG80 library, written by Imran Haque, is Copyright 2009 Stanford University, +covered by the LGPL license. It may be used under the following terms: IN NO EVENT SHALL STANFORD UNIVERSITY BE LIABLE TO ANY PARTY FOR DIRECT, INDIRECT, SPECIAL, INCIDENTAL, OR CONSEQUENTIAL DAMAGES, INCLUDING LOST PROFITS, ARISING OUT OF @@ -504,7 +1021,7 @@ If you want to redistribute modifications, please consider that scientific software is very special. Version control is crucial - bugs must be traceable. We will be happy to consider code for inclusion in the official distribution, but derived work should not -be called official thread_mpi. +be called official thread_mpi. 6. Blas ======= @@ -514,9 +1031,9 @@ The source has been modified to (mostly) use modern C formatting, and to get rid compiler warnings. Any errors in doing this should be blamed on the Gromacs developers, and not the reference BLAS implementation. -The reference BLAS implementation is available from http://www.netlib.org/blas +The reference BLAS implementation is available from http://www.netlib.org/blas -BLAS does not come with a formal named "license", but a general statement that +BLAS does not come with a formal named "license", but a general statement that "The reference BLAS is a freely-available software package. It is available from netlib via anonymous ftp and the World Wide Web. Thus, it can be included in commercial software @@ -538,7 +1055,7 @@ The source has been modified to (mostly) use modern C formatting, and to get rid compiler warnings. Any errors in doing this should be blamed on the Gromacs developers, and not the reference LAPACK implementation. -The reference LAPACK implementation is available from http://www.netlib.org/lapack +The reference LAPACK implementation is available from http://www.netlib.org/lapack LAPACK does not come with a formal named "license", but a general statement saying: diff --git a/CPackInit.cmake b/CPackInit.cmake index eba4c45d7a..1e95d97af9 100644 --- a/CPackInit.cmake +++ b/CPackInit.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# #TODO: add check that source doesn't contain any untracked files if(CPACK_SOURCE_PACKAGE_FILE_NAME) #building source package get_filename_component(CMAKE_BINARY_DIR ${CPACK_OUTPUT_CONFIG_FILE} PATH) diff --git a/CTestConfig.cmake b/CTestConfig.cmake index c31b87af10..1a80de2b54 100644 --- a/CTestConfig.cmake +++ b/CTestConfig.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# SET(CTEST_PROJECT_NAME "Gromacs") SET(CTEST_NIGHTLY_START_TIME "00:00:00 EST") diff --git a/admin/CopyrightNotice.txt b/admin/CopyrightNotice.txt new file mode 100644 index 0000000000..f0ba3be9fb --- /dev/null +++ b/admin/CopyrightNotice.txt @@ -0,0 +1,34 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org + */ diff --git a/admin/changecopyright.pl b/admin/changecopyright.pl new file mode 100755 index 0000000000..6e30205774 --- /dev/null +++ b/admin/changecopyright.pl @@ -0,0 +1,191 @@ +#!/usr/bin/perl -w +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org + +# Use with +# +# changecopyright.pl your_file_name_here +# +# Files with C-style comments and CMake files are more-or-less supported + +use strict; +use Regexp::Common qw /comment RE_comment_C/; +use File::Slurp; + +my $file_name = shift @ARGV; +my $gromacs_copyright_notice = < qr/.*\.(?:[chyl]|[ch]pp)|cuh?$|/, + 'commentchar' => '' + ] + , + [ 'extension' => qr/.*\.f$/, + 'commentchar' => 'C' + ] + , + [ 'extension' => qr/.*\.(?:py|pl|sh|)$/, + 'commentchar' => '#' + ] + , + [ 'extension' => qr/CMakeLists.txt/, + 'commentchar' => '#' + ] + , + [ 'extension' => qr/.pre/, + 'commentchar' => '' + ] + , + [ 'extension' => qr//, + 'commentchar' => '' + ] + ); + +# since the new copyright notice is not included here, we magically +# can't duplicate the 4.6 copyright notice by re-applying the script +my $multi_line_authors = qr/ \* BIOSON Research Institute, Dept. of Biophysical Chemistry\n \* University of Groningen, The Netherlands\n| \* check out http:\/\/www.gromacs.org for more information.\n| \* Erik Lindahl, David van der Spoel, University of Groningen.\n| \* David van der Spoel, Erik Lindahl, University of Groningen.\n|\* David van der Spoel, Erik Lindahl, University of Groningen.\n| \* David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen.\n/; + +my $year = qr/[0-9]{4}/; +my $year_range = qr/$year(?:-$year)?/; +my $noncopyright_line = qr/ \* (?![Cc]opyright)[^\n]*\n/; +my $empty_line = qr/ ?\*\n/; +my $text = qr/[^\n]/; +my $comma_and_more_lines = qr/,\n${multi_line_authors}/; +my $nothing_and_possible_multi_line_authors = qr/ *\n${multi_line_authors}?/; +my $period_and_end_of_line = qr/\.\s*?\n/; +my $copyright_notice = qr/(?:This file is part of Gromacs |Gromacs 4.0 )?[Cc]opyright.*\s(${year_range}(?:,${year_range})*)(?:${text}+${period_and_end_of_line}|${text}+${comma_and_more_lines}|${nothing_and_possible_multi_line_authors}|${text}+\n(?=${empty_line}))/; + +my $slurped_text = read_file($file_name); +my $result = ""; +my $remaining = $slurped_text; +my $found_copyright_notice = 0; + +while ($remaining =~ /$RE{comment}{C}/) { + # These variables are ugly, but so is the purpose of this script + $result .= ${^PREMATCH}; + my $comment = ${^MATCH}; + $remaining = ${^POSTMATCH}; + + # Accept this comment unmodified, and later prepend the GROMACS + # one because found_copyright_notice is still 0 + if ($comment =~ /This source code file is part of thread_mpi|Aladdin Enterprises/) { + $result .= $comment; + next; + } + if ($comment =~ $copyright_notice && 0 == $found_copyright_notice) { + my $this_copyright_notice = $gromacs_copyright_notice; + my @old_copyrights = (); + my $remaining_comment; + do { + push @old_copyrights, ${^MATCH}; + $remaining_comment = ${^POSTMATCH}; + } while ($remaining_comment =~ /${copyright_notice}/m); + + # Prepend old copyrights to the new GROMACS copyright notice + map { + (my $old_copyright = $_) =~ s/,$/./; + # Remove temporary open-ended copyright assertions + unless ($old_copyright =~ /Copyright \(c\) 2012- */) { + $this_copyright_notice =~ s/^( \* Copyright)/ * ${old_copyright}$1/m; + } + } reverse(@old_copyrights); + + $result .= $this_copyright_notice; + } else { + $result .= $comment; + } + if ($comment =~ /[Cc]opyright/) { + # Make sure we don't duplicate copyright statements when the first + # one was made in 2012, but can still insert that statement when + # there has never been one before. + $found_copyright_notice = 1; + } +} +$result .= $remaining; + +# Deal with CMake files first +if ($file_name =~ /CMakeLists.txt$|.cmake$/) { + if ( $result !~ /[Cc]opyright.*by the GROMACS development team/) { + (my $this_copyright_notice = $gromacs_copyright_notice) =~ s/^[\/ ]\*\/?/#/gm; + $result = "${this_copyright_notice}\n$result"; + } +} elsif (0 == $found_copyright_notice) { + # Prepare output for files with C-style comments + $result = "${gromacs_copyright_notice}\n$result"; +} + +# Write output +open FILE, ">$file_name" or die "Couldn't open file $file_name for writing"; +print FILE $result; +close FILE; + +# Review the changes before they get added! Some files need manual tweaking +# because they have licensing external to GROMACS. +system("git add --interactive --patch $file_name"); diff --git a/cmake/BuildManPages.cmake b/cmake/BuildManPages.cmake index 5762a19be7..64627e9e0a 100644 --- a/cmake/BuildManPages.cmake +++ b/cmake/BuildManPages.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# MACRO(TODAY RESULT) IF(UNIX) EXECUTE_PROCESS(COMMAND "date" "+%F" OUTPUT_VARIABLE ${RESULT} OUTPUT_STRIP_TRAILING_WHITESPACE) diff --git a/cmake/CheckCCompilerFlag.cmake b/cmake/CheckCCompilerFlag.cmake index e65ba1b4a6..e7fb82fe91 100644 --- a/cmake/CheckCCompilerFlag.cmake +++ b/cmake/CheckCCompilerFlag.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Check whether the C compiler supports a given flag. # CHECK_C_COMPILER_FLAG( ) # - the compiler flag diff --git a/cmake/CheckCXXCompilerFlag.cmake b/cmake/CheckCXXCompilerFlag.cmake index e589fddf06..c55adcc70f 100644 --- a/cmake/CheckCXXCompilerFlag.cmake +++ b/cmake/CheckCXXCompilerFlag.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Check whether the CXX compiler supports a given flag. # CHECK_CXX_COMPILER_FLAG( ) # - the compiler flag diff --git a/cmake/CreateManPage.cmake b/cmake/CreateManPage.cmake index 84804e8204..97927d8d84 100644 --- a/cmake/CreateManPage.cmake +++ b/cmake/CreateManPage.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# #Create a single man page. Used by CreateManPage.cmake file(TO_NATIVE_PATH ./${EXENAME} EXEPATH) execute_process(COMMAND ${EXEPATH} -quiet -man nroff diff --git a/cmake/FindBLAS.cmake b/cmake/FindBLAS.cmake index 9eadfd125d..113d900716 100644 --- a/cmake/FindBLAS.cmake +++ b/cmake/FindBLAS.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Find BLAS library # This module finds an installed fortran library that implements the BLAS # linear-algebra interface (see http://www.netlib.org/blas/). diff --git a/cmake/FindFFTW.cmake b/cmake/FindFFTW.cmake index a3ad32b2fd..efed411474 100644 --- a/cmake/FindFFTW.cmake +++ b/cmake/FindFFTW.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Find FFTW 3 # Find the native FFTW headers and libraries. # diff --git a/cmake/FindGit.cmake b/cmake/FindGit.cmake index 2d82142877..8ea8cdeac1 100644 --- a/cmake/FindGit.cmake +++ b/cmake/FindGit.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # The module defines the following variables: # GIT_EXECUTABLE - path to git command line client # GIT_FOUND - true if the command line client was found diff --git a/cmake/FindLAPACK.cmake b/cmake/FindLAPACK.cmake index 0ae98dfa7b..d70b689c7c 100644 --- a/cmake/FindLAPACK.cmake +++ b/cmake/FindLAPACK.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Find LAPACK library # This module finds an installed fortran library that implements the LAPACK # linear-algebra interface (see http://www.netlib.org/lapack/). diff --git a/cmake/FindMKL.cmake b/cmake/FindMKL.cmake index 48ba365aae..af76cbd806 100644 --- a/cmake/FindMKL.cmake +++ b/cmake/FindMKL.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Find Intel MKL # Find the Intel Math Kernel Library, version 6.0 or later # diff --git a/cmake/FindOpenMM.cmake b/cmake/FindOpenMM.cmake index 541b2a453d..e76f4ed5bf 100644 --- a/cmake/FindOpenMM.cmake +++ b/cmake/FindOpenMM.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Find OpenMM library. # # Looks for the OpenMM libraries at the default (/usr/local) location diff --git a/cmake/FindOpenMP.cmake b/cmake/FindOpenMP.cmake index 24231bafe5..79cd553df2 100644 --- a/cmake/FindOpenMP.cmake +++ b/cmake/FindOpenMP.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Finds OpenMP support # Copied from cmake 2.8.7 prior versions were assuming C++ # compiler is enabled. Can be removed when 2.8.7 becomes diff --git a/cmake/FindPthreads.cmake b/cmake/FindPthreads.cmake index 8a087307c2..d47134e2ae 100644 --- a/cmake/FindPthreads.cmake +++ b/cmake/FindPthreads.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Find the Pthreads library # This module searches for the Pthreads library (including the # pthreads-win32 port). diff --git a/cmake/FindVMD.cmake b/cmake/FindVMD.cmake index 7c35600781..bbcc85ca2d 100644 --- a/cmake/FindVMD.cmake +++ b/cmake/FindVMD.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # This file is part of Gromacs Copyright (c) 1991-2008 # David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. diff --git a/cmake/Findgsl.cmake b/cmake/Findgsl.cmake index c2a75f233d..d2752463bb 100644 --- a/cmake/Findgsl.cmake +++ b/cmake/Findgsl.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Try to find gnu scientific library GSL # See # http://www.gnu.org/software/gsl/ and diff --git a/cmake/FortranCInterface.cmake b/cmake/FortranCInterface.cmake index 6551658c76..1fdfcfd91c 100755 --- a/cmake/FortranCInterface.cmake +++ b/cmake/FortranCInterface.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # FortranCInterface.cmake # # This file defines the function create_fortran_c_interface. diff --git a/cmake/ThreadMPI.cmake b/cmake/ThreadMPI.cmake index f569ab5d2b..8ec88a3cc9 100644 --- a/cmake/ThreadMPI.cmake +++ b/cmake/ThreadMPI.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# include(CheckIncludeFiles) include(CheckFunctionExists) diff --git a/cmake/Toolchain-BlueGeneL-xlc.cmake b/cmake/Toolchain-BlueGeneL-xlc.cmake index a735edc57a..138841402e 100644 --- a/cmake/Toolchain-BlueGeneL-xlc.cmake +++ b/cmake/Toolchain-BlueGeneL-xlc.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # derived from http://cmake.org/Wiki/CmakeBlueGene # the name of the target operating system diff --git a/cmake/Toolchain-BlueGeneP.cmake b/cmake/Toolchain-BlueGeneP.cmake index 67629ba632..c4ddfb439b 100644 --- a/cmake/Toolchain-BlueGeneP.cmake +++ b/cmake/Toolchain-BlueGeneP.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # the name of the target operating system set(CMAKE_SYSTEM_NAME BlueGeneP-static CACHE STRING "Cross-compiling for BlueGene/P") diff --git a/cmake/gmxBuildTypeReference.cmake b/cmake/gmxBuildTypeReference.cmake index ea3b0a1cd7..09401b5bca 100644 --- a/cmake/gmxBuildTypeReference.cmake +++ b/cmake/gmxBuildTypeReference.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Custom build type "Reference", to be used for creating new # reference values in the Gromacs regression tests. set( CMAKE_CXX_FLAGS_REFERENCE "-O0 -g" CACHE STRING "C++ flags for regressiontests reference runs." FORCE) diff --git a/cmake/gmxCFlags.cmake b/cmake/gmxCFlags.cmake index e84af63ccd..e995e7709f 100644 --- a/cmake/gmxCFlags.cmake +++ b/cmake/gmxCFlags.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Test C flags FLAGS, and set VARIABLE to true if the work. Also add the # flags to CFLAGSVAR. diff --git a/cmake/gmxCheckGCCVersion.cmake b/cmake/gmxCheckGCCVersion.cmake index 70e0764d11..f9223ef214 100644 --- a/cmake/gmxCheckGCCVersion.cmake +++ b/cmake/gmxCheckGCCVersion.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Check GCC version and if any of the 4.1.x family compiler suites is found # quit the build system generating process. # diff --git a/cmake/gmxDetectAcceleration.cmake b/cmake/gmxDetectAcceleration.cmake index 154847f4fb..98533f8696 100644 --- a/cmake/gmxDetectAcceleration.cmake +++ b/cmake/gmxDetectAcceleration.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Check the username performing the build, as well as date and time # # GMX_DETECT_ACCELERATION(GMX_SUGGESTED_ACCELERATION) diff --git a/cmake/gmxDetectClang30.cmake b/cmake/gmxDetectClang30.cmake index ccef6d2586..94d57ad456 100644 --- a/cmake/gmxDetectClang30.cmake +++ b/cmake/gmxDetectClang30.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# macro(gmx_detect_clang_3_0 OUT_VAR) try_compile(IS_CLANG_3_0 ${CMAKE_BINARY_DIR} ${CMAKE_SOURCE_DIR}/cmake/TestClangVersion.c) set(${OUT_VAR} ${IS_CLANG_3_0}) diff --git a/cmake/gmxDetectGpu.cmake b/cmake/gmxDetectGpu.cmake index eaf84fde66..f7ac11207c 100644 --- a/cmake/gmxDetectGpu.cmake +++ b/cmake/gmxDetectGpu.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # The gmx_detect_gpu() macro aims to detect GPUs available in the build machine # and provide the number, names, and compute-capabilities of these devices. # diff --git a/cmake/gmxGCC44O3BugWorkaround.cmake b/cmake/gmxGCC44O3BugWorkaround.cmake index fc7433e4d9..5578b85d53 100644 --- a/cmake/gmxGCC44O3BugWorkaround.cmake +++ b/cmake/gmxGCC44O3BugWorkaround.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Due to a bug, gcc 4.4.x crashes when compiling bondfree.c with -O3 and # -fopenmp, but strangely it does not crash with -O2 + all additional options. # -O3 uses. Therefore, for the affected files, when compiling in release mode, diff --git a/cmake/gmxGenerateVersionInfo.cmake b/cmake/gmxGenerateVersionInfo.cmake index 754806e2c9..e352934c1c 100644 --- a/cmake/gmxGenerateVersionInfo.cmake +++ b/cmake/gmxGenerateVersionInfo.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Generate Gromacs development build version information. # # The script generates version information for a build from a development diff --git a/cmake/gmxGetCompilerInfo.cmake b/cmake/gmxGetCompilerInfo.cmake index d70020a9aa..84599721f4 100644 --- a/cmake/gmxGetCompilerInfo.cmake +++ b/cmake/gmxGetCompilerInfo.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # This macro attempts to parse the version string of the C compiler in use. # Currently supported are only compilers that accept "-dumpversion" argument: # gcc, Intel Compiler (on Linux and Mac OS), Open64, EkoPath. diff --git a/cmake/gmxManageGPU.cmake b/cmake/gmxManageGPU.cmake index 5db51b31b1..1a0b12edec 100644 --- a/cmake/gmxManageGPU.cmake +++ b/cmake/gmxManageGPU.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # If the user did not set GMX_GPU we'll consider this option to be # in "auto" mode meaning that we will: # - search for CUDA and set GMX_GPU=ON we find it diff --git a/cmake/gmxManageMPI.cmake b/cmake/gmxManageMPI.cmake index c025192465..e44d02c19c 100644 --- a/cmake/gmxManageMPI.cmake +++ b/cmake/gmxManageMPI.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Manage the MPI setup, assuming that CMAKE_C_COMPILER is an MPI # (wrapper) compiler. if(GMX_MPI) diff --git a/cmake/gmxManageNvccConfig.cmake b/cmake/gmxManageNvccConfig.cmake index b7d5998147..f03a64b7a3 100644 --- a/cmake/gmxManageNvccConfig.cmake +++ b/cmake/gmxManageNvccConfig.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Manage CUDA nvcc compilation configuration, try to be smart to ease the users' # pain as much as possible: # - use the CUDA_NVCC_HOST_COMPILER if defined by the user, otherwise diff --git a/cmake/gmxSetBuildInformation.cmake b/cmake/gmxSetBuildInformation.cmake index 8b04ef2d44..a1972882c5 100644 --- a/cmake/gmxSetBuildInformation.cmake +++ b/cmake/gmxSetBuildInformation.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Check the username performing the build, as well as date and time # diff --git a/cmake/gmxTestCatamount.cmake b/cmake/gmxTestCatamount.cmake index 57272b6aab..1351daa22c 100644 --- a/cmake/gmxTestCatamount.cmake +++ b/cmake/gmxTestCatamount.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check we are compiling for CRAY XT catamount # # GMX_TEST_CATAMOUNT(VARIABLE) diff --git a/cmake/gmxTestFloatFormat.cmake b/cmake/gmxTestFloatFormat.cmake index 665ce76301..58dcc621b5 100644 --- a/cmake/gmxTestFloatFormat.cmake +++ b/cmake/gmxTestFloatFormat.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to determine floating point format properties # # GMX_TEST_FLOAT_FORMAT(FP_IEEE754 FP_BIG_ENDIAN_BYTE FP_BIG_ENDIAN_WORD) diff --git a/cmake/gmxTestInline.cmake b/cmake/gmxTestInline.cmake index e107ac4608..2de0b180c8 100644 --- a/cmake/gmxTestInline.cmake +++ b/cmake/gmxTestInline.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check inline keyword # # GMX_TEST_INLINE(VARIABLE) diff --git a/cmake/gmxTestInlineASM.cmake b/cmake/gmxTestInlineASM.cmake index bb5669df17..30ffa722bc 100644 --- a/cmake/gmxTestInlineASM.cmake +++ b/cmake/gmxTestInlineASM.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check GCC x86 inline ASM support # # GMX_TEST_INLINE_ASM_GCC_X86(VARIABLE) diff --git a/cmake/gmxTestIsfinite.cmake b/cmake/gmxTestIsfinite.cmake index ff0e147be0..f238d7d4d3 100644 --- a/cmake/gmxTestIsfinite.cmake +++ b/cmake/gmxTestIsfinite.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check if isfinite or _isfinite exists # # gmx_test_isfinite(VARIABLE) diff --git a/cmake/gmxTestLargeFiles.cmake b/cmake/gmxTestLargeFiles.cmake index 1c3681254b..f09be497ce 100644 --- a/cmake/gmxTestLargeFiles.cmake +++ b/cmake/gmxTestLargeFiles.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check large file support # # GMX_TEST_LARGE_FILES(VARIABLE) diff --git a/cmake/gmxTestMPI_IN_PLACE.cmake b/cmake/gmxTestMPI_IN_PLACE.cmake index 07fb140926..71fef63fb1 100644 --- a/cmake/gmxTestMPI_IN_PLACE.cmake +++ b/cmake/gmxTestMPI_IN_PLACE.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check if MPI_IN_PLACE exists # # GMX_TEST_MPI_IN_PLACE(VARIABLE) diff --git a/cmake/gmxTestPipes.cmake b/cmake/gmxTestPipes.cmake index e59def8e84..961ae04d49 100644 --- a/cmake/gmxTestPipes.cmake +++ b/cmake/gmxTestPipes.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check if pipes are supported # # GMX_TEST_PIPES(VARIABLE) diff --git a/cmake/gmxTestRestrict.cmake b/cmake/gmxTestRestrict.cmake index f23819bb89..6b795177ea 100644 --- a/cmake/gmxTestRestrict.cmake +++ b/cmake/gmxTestRestrict.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check restrict keyword # # GMX_TEST_RESTRICT(VARIABLE) diff --git a/cmake/gmxTestSignal.cmake b/cmake/gmxTestSignal.cmake index 77df3bf9af..22e4e319e2 100644 --- a/cmake/gmxTestSignal.cmake +++ b/cmake/gmxTestSignal.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check if SIGUSR1 is defined # # GMX_TEST_SIGUSR1(VARIABLE) diff --git a/cmake/gmxTestXDR.cmake b/cmake/gmxTestXDR.cmake index 28844e66a7..c410ddf7c8 100644 --- a/cmake/gmxTestXDR.cmake +++ b/cmake/gmxTestXDR.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check if system XDR routines are present # # GMX_TEST_XDR(VARIABLE) diff --git a/cmake/gmxTestdlopen.cmake b/cmake/gmxTestdlopen.cmake index b3885b827d..64809d0f45 100644 --- a/cmake/gmxTestdlopen.cmake +++ b/cmake/gmxTestdlopen.cmake @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # - Define macro to check if DLOPEN is defined # # GMX_TEST_DLOPEN(VARIABLE) diff --git a/include/3dview.h b/include/3dview.h index 5a1682e8a4..2b28d61b9f 100644 --- a/include/3dview.h +++ b/include/3dview.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _3dview_h diff --git a/include/CMakeLists.txt b/include/CMakeLists.txt index 76c1edc887..7ad0946915 100644 --- a/include/CMakeLists.txt +++ b/include/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # includes: Nothing to build, just configuration and installation configure_file(${CMAKE_CURRENT_SOURCE_DIR}/gmx_header_config.h.cmakein ${CMAKE_CURRENT_BINARY_DIR}/gmx_header_config.h) install(FILES ${CMAKE_CURRENT_BINARY_DIR}/gmx_header_config.h diff --git a/include/assert.h b/include/assert.h index bfc986f442..5314a8aa01 100644 --- a/include/assert.h +++ b/include/assert.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _assert_h diff --git a/include/atomprop.h b/include/atomprop.h index 57487a0ee2..178465005c 100644 --- a/include/atomprop.h +++ b/include/atomprop.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _atomprop_h diff --git a/include/bondf.h b/include/bondf.h index d66faf4de9..0fcd0f6e56 100644 --- a/include/bondf.h +++ b/include/bondf.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _bondf_h diff --git a/include/calcgrid.h b/include/calcgrid.h index d4a7ef2b6b..e69b66882c 100644 --- a/include/calcgrid.h +++ b/include/calcgrid.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #include "visibility.h" #include "typedefs.h" diff --git a/include/calch.h b/include/calch.h index 6c16c16e42..dceea0b3eb 100644 --- a/include/calch.h +++ b/include/calch.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _calch_h diff --git a/include/calcmu.h b/include/calcmu.h index 0ecdf00b0f..9b410ce0e8 100644 --- a/include/calcmu.h +++ b/include/calcmu.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _calcmu_h diff --git a/include/centerofmass.h b/include/centerofmass.h index b66ca76ba8..b8992a5e7c 100644 --- a/include/centerofmass.h +++ b/include/centerofmass.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for calculation of centers of mass/geometry. diff --git a/include/chargegroup.h b/include/chargegroup.h index ceb1cbb9cd..6a555e828c 100644 --- a/include/chargegroup.h +++ b/include/chargegroup.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _chargegroup_h diff --git a/include/checkpoint.h b/include/checkpoint.h index 6a99fb854a..dc65b9558e 100644 --- a/include/checkpoint.h +++ b/include/checkpoint.h @@ -1,36 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _checkpoint_h diff --git a/include/confio.h b/include/confio.h index 0f8512aa26..fcd7823538 100644 --- a/include/confio.h +++ b/include/confio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _confio_h diff --git a/include/constr.h b/include/constr.h index a2f7f6d120..9a8a4146e4 100644 --- a/include/constr.h +++ b/include/constr.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _constr_h diff --git a/include/copyrite.h b/include/copyrite.h index 3493b95065..994734fb53 100644 --- a/include/copyrite.h +++ b/include/copyrite.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _copyrite_h diff --git a/include/coulomb.h b/include/coulomb.h index e1b54cb23f..fa7cc96ded 100644 --- a/include/coulomb.h +++ b/include/coulomb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _coulomb_h diff --git a/include/displacement.h b/include/displacement.h index 3fd9de04a1..c76c084105 100644 --- a/include/displacement.h +++ b/include/displacement.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for on-line calculation of displacements. diff --git a/include/disre.h b/include/disre.h index cb2c4850fa..9b7b6df11f 100644 --- a/include/disre.h +++ b/include/disre.h @@ -1,37 +1,40 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _disre_h diff --git a/include/do_fit.h b/include/do_fit.h index 8339da953f..41e3f0e388 100644 --- a/include/do_fit.h +++ b/include/do_fit.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _do_fit_h diff --git a/include/domdec.h b/include/domdec.h index b598ebb187..41a2772076 100644 --- a/include/domdec.h +++ b/include/domdec.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _domdec_h diff --git a/include/domdec_network.h b/include/domdec_network.h index fafd3f4aec..3ac1b5cb28 100644 --- a/include/domdec_network.h +++ b/include/domdec_network.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _domdec_network_h diff --git a/include/ebin.h b/include/ebin.h index 6298789429..d472c6c36f 100644 --- a/include/ebin.h +++ b/include/ebin.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _ebin_h diff --git a/include/edsam.h b/include/edsam.h index b62c899a93..80e189c6ff 100644 --- a/include/edsam.h +++ b/include/edsam.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _edsam_h diff --git a/include/enxio.h b/include/enxio.h index 3e98f0f69c..e85f1908b4 100644 --- a/include/enxio.h +++ b/include/enxio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _enxio_h diff --git a/include/ffscanf.h b/include/ffscanf.h index 3ff0abefd8..084fcf9257 100644 --- a/include/ffscanf.h +++ b/include/ffscanf.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #include "typedefs.h" diff --git a/include/filenm.h b/include/filenm.h index c2e94db0a0..c6692ae18e 100644 --- a/include/filenm.h +++ b/include/filenm.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _filenm_h diff --git a/include/force.h b/include/force.h index a91be65d17..99e9962e1d 100644 --- a/include/force.h +++ b/include/force.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _force_h diff --git a/include/futil.h b/include/futil.h index a31a1aa1f4..6d255bdd91 100644 --- a/include/futil.h +++ b/include/futil.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _futil_h diff --git a/include/gbutil.h b/include/gbutil.h index 125c48ad30..4ba9b9b4b0 100644 --- a/include/gbutil.h +++ b/include/gbutil.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #include "visibility.h" #include "typedefs.h" diff --git a/include/gen_ad.h b/include/gen_ad.h index 605e967be0..a01fde21c9 100644 --- a/include/gen_ad.h +++ b/include/gen_ad.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gen_ad_h diff --git a/include/genborn.h b/include/genborn.h index f6e9961dda..f2ee0b4251 100644 --- a/include/genborn.h +++ b/include/genborn.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/gmx_ana.h b/include/gmx_ana.h index f156c256af..9e2fd91b5c 100644 --- a/include/gmx_ana.h +++ b/include/gmx_ana.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_ana_h diff --git a/include/gmx_arpack.h b/include/gmx_arpack.h index 60c1ea50e2..612ebf62fa 100644 --- a/include/gmx_arpack.h +++ b/include/gmx_arpack.h @@ -1,32 +1,38 @@ /* - * + * This file is part of the GROMACS molecular simulation package. + * * This file is part of Gromacs Copyright (c) 1991-2004 * David van der Spoel, Erik Lindahl, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This file contains a subset of ARPACK functions to perform - * diagonalization and SVD for sparse matrices in Gromacs. + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * The code has been translated to C to avoid being dependent on - * a Fotran compiler, and it has been made threadsafe by using - * additional workspace arrays to store data during reverse communication. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * You might prefer the original ARPACK library for general use, but - * in case you want to this version can be redistributed freely, just - * as the original library. However, please make clear that it is the - * hacked version from Gromacs so any bugs are blamed on us and not - * the original authors. You should also be aware that the double - * precision work array workd needs to be of size (3*N+4) here - * (4 more than the general library), and there is an extra argument - * iwork, which should be an integer work array of length 80. - * - * ARPACK was written by + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * Danny Sorensen Phuong Vu - * Riconst chard Lehoucq CRPC / Rice University - * Dept. of Computational & Houston, Texas - * Applied Mathematics - * Rice University - * Houston, Texas + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_ARPACK_H diff --git a/include/gmx_avx_double.h b/include/gmx_avx_double.h index 190b4ccc0d..bcad443296 100644 --- a/include/gmx_avx_double.h +++ b/include/gmx_avx_double.h @@ -1,31 +1,36 @@ /* - * This source code is part of + * This file is part of the GROMACS molecular simulation package. * - * G R O M A C S + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_avx_double_h_ #define _gmx_avx_double_h_ diff --git a/include/gmx_avx_single.h b/include/gmx_avx_single.h index f0697e1021..222f182c19 100644 --- a/include/gmx_avx_single.h +++ b/include/gmx_avx_single.h @@ -1,31 +1,36 @@ /* - * This source code is part of + * This file is part of the GROMACS molecular simulation package. * - * G R O M A C S + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_avx_single_h_ #define _gmx_avx_single_h_ diff --git a/include/gmx_blas.h b/include/gmx_blas.h index 8bd6b42cfb..df77fc29c3 100644 --- a/include/gmx_blas.h +++ b/include/gmx_blas.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_BLAS_H_ diff --git a/include/gmx_cpuid.h b/include/gmx_cpuid.h index 8012c22fe9..71d89a9c54 100644 --- a/include/gmx_cpuid.h +++ b/include/gmx_cpuid.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef GMX_CPUID_H_ #define GMX_CPUID_H_ diff --git a/include/gmx_cyclecounter.h b/include/gmx_cyclecounter.h index 397f323a35..8735bb1b73 100644 --- a/include/gmx_cyclecounter.h +++ b/include/gmx_cyclecounter.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2006 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_CYCLECOUNTER_H_ diff --git a/include/gmx_detect_hardware.h b/include/gmx_detect_hardware.h index 61e9be121b..bbfc670ded 100644 --- a/include/gmx_detect_hardware.h +++ b/include/gmx_detect_hardware.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * GROup of MAchos and Cynical Suckers + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef GMX_HARDWARE_DETECT_H diff --git a/include/gmx_fatal.h b/include/gmx_fatal.h index ba418d01f1..a790e78f0e 100644 --- a/include/gmx_fatal.h +++ b/include/gmx_fatal.h @@ -1,37 +1,40 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _fatal_h diff --git a/include/gmx_fatal_collective.h b/include/gmx_fatal_collective.h index e9629eaaa9..ea1d598634 100644 --- a/include/gmx_fatal_collective.h +++ b/include/gmx_fatal_collective.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _fatal_collective_h diff --git a/include/gmx_fft.h b/include/gmx_fft.h index 63c61782ed..858597f0bb 100644 --- a/include/gmx_fft.h +++ b/include/gmx_fft.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * +/* + * This file is part of the GROMACS molecular simulation package. * * Gromacs 4.0 Copyright (c) 1991-2003 * David van der Spoel, Erik Lindahl, University of Groningen. - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_FFT_H_ diff --git a/include/gmx_ga2la.h b/include/gmx_ga2la.h index 9e385eed1e..1f9b14e170 100644 --- a/include/gmx_ga2la.h +++ b/include/gmx_ga2la.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_ga2la_h #define _gmx_ga2la_h diff --git a/include/gmx_hash.h b/include/gmx_hash.h index 8d0ca4ed95..9f88cefdd1 100644 --- a/include/gmx_hash.h +++ b/include/gmx_hash.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_hash_h #define _gmx_hash_h diff --git a/include/gmx_lapack.h b/include/gmx_lapack.h index 22cc046fb3..c21f5b034c 100644 --- a/include/gmx_lapack.h +++ b/include/gmx_lapack.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_LAPACK_H_ diff --git a/include/gmx_math_x86_avx_128_fma_double.h b/include/gmx_math_x86_avx_128_fma_double.h index b47f577be0..b751a7e1c9 100644 --- a/include/gmx_math_x86_avx_128_fma_double.h +++ b/include/gmx_math_x86_avx_128_fma_double.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_avx_128_fma_double_h_ #define _gmx_math_x86_avx_128_fma_double_h_ diff --git a/include/gmx_math_x86_avx_128_fma_single.h b/include/gmx_math_x86_avx_128_fma_single.h index 96e50f243a..82dbc71352 100644 --- a/include/gmx_math_x86_avx_128_fma_single.h +++ b/include/gmx_math_x86_avx_128_fma_single.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_avx_128_fma_single_h_ #define _gmx_math_x86_avx_128_fma_single_h_ diff --git a/include/gmx_math_x86_avx_256_double.h b/include/gmx_math_x86_avx_256_double.h index 0796b9f341..d09721c849 100644 --- a/include/gmx_math_x86_avx_256_double.h +++ b/include/gmx_math_x86_avx_256_double.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_avx_256_double_h_ #define _gmx_math_x86_avx_256_double_h_ diff --git a/include/gmx_math_x86_avx_256_single.h b/include/gmx_math_x86_avx_256_single.h index b25b644ae8..9dc6859f9e 100644 --- a/include/gmx_math_x86_avx_256_single.h +++ b/include/gmx_math_x86_avx_256_single.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_avx_256_single_h_ #define _gmx_math_x86_avx_256_single_h_ diff --git a/include/gmx_math_x86_sse2_double.h b/include/gmx_math_x86_sse2_double.h index 0ee8cc95bc..1916eaebc3 100644 --- a/include/gmx_math_x86_sse2_double.h +++ b/include/gmx_math_x86_sse2_double.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_sse2_double_h_ #define _gmx_math_x86_sse2_double_h_ diff --git a/include/gmx_math_x86_sse2_single.h b/include/gmx_math_x86_sse2_single.h index e7c818705d..874ed438d2 100644 --- a/include/gmx_math_x86_sse2_single.h +++ b/include/gmx_math_x86_sse2_single.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_sse2_single_h_ #define _gmx_math_x86_sse2_single_h_ diff --git a/include/gmx_math_x86_sse4_1_double.h b/include/gmx_math_x86_sse4_1_double.h index 5298c159ef..1156e8128d 100644 --- a/include/gmx_math_x86_sse4_1_double.h +++ b/include/gmx_math_x86_sse4_1_double.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_sse4_1_double_h_ #define _gmx_math_x86_sse4_1_double_h_ diff --git a/include/gmx_math_x86_sse4_1_single.h b/include/gmx_math_x86_sse4_1_single.h index 92fd326dca..17f0db2072 100644 --- a/include/gmx_math_x86_sse4_1_single.h +++ b/include/gmx_math_x86_sse4_1_single.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This file is part of GROMACS. - * Copyright (c) 2012- +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_math_x86_sse4_1_single_h_ #define _gmx_math_x86_sse4_1_single_h_ diff --git a/include/gmx_matrix.h b/include/gmx_matrix.h index 52e1bffb70..0197efa773 100644 --- a/include/gmx_matrix.h +++ b/include/gmx_matrix.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.0.99 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_matrix_h diff --git a/include/gmx_omp.h b/include/gmx_omp.h index 51f12d4d46..89d0d67f62 100644 --- a/include/gmx_omp.h +++ b/include/gmx_omp.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- * * diff --git a/include/gmx_omp_nthreads.h b/include/gmx_omp_nthreads.h index a0b5613368..4f126f45f9 100644 --- a/include/gmx_omp_nthreads.h +++ b/include/gmx_omp_nthreads.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef GMX_OMP_NTHREADS diff --git a/include/gmx_parallel_3dfft.h b/include/gmx_parallel_3dfft.h index 55582be42c..5ebf7cb685 100644 --- a/include/gmx_parallel_3dfft.h +++ b/include/gmx_parallel_3dfft.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * Gromacs Copyright (c) 1991-2005 + * Copyright (c) 1991-2005 * David van der Spoel, Erik Lindahl, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_parallel_3dfft_h_ diff --git a/include/gmx_random.h b/include/gmx_random.h index 5bc6b2a225..5df5ed05e9 100644 --- a/include/gmx_random.h +++ b/include/gmx_random.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_RANDOM_H_ diff --git a/include/gmx_sort.h b/include/gmx_sort.h index da7408caa7..64e1b90191 100644 --- a/include/gmx_sort.h +++ b/include/gmx_sort.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2010 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_SORT_H_ #define _GMX_SORT_H_ diff --git a/include/gmx_statistics.h b/include/gmx_statistics.h index 69c40ef9e1..07d9a67e5a 100644 --- a/include/gmx_statistics.h +++ b/include/gmx_statistics.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_STATS_H diff --git a/include/gmx_system_xdr.h b/include/gmx_system_xdr.h index 8538ab371a..c8ee491ffa 100644 --- a/include/gmx_system_xdr.h +++ b/include/gmx_system_xdr.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_system_xdr_h diff --git a/include/gmx_wallcycle.h b/include/gmx_wallcycle.h index 5e63c50ed8..c233a17b8f 100644 --- a/include/gmx_wallcycle.h +++ b/include/gmx_wallcycle.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/gmx_x86_avx_128_fma.h b/include/gmx_x86_avx_128_fma.h index 13a02078b0..1669da94be 100644 --- a/include/gmx_x86_avx_128_fma.h +++ b/include/gmx_x86_avx_128_fma.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_x86_avx_128_fma_h_ #define _gmx_x86_avx_128_fma_h_ diff --git a/include/gmx_x86_avx_256.h b/include/gmx_x86_avx_256.h index 6a561fa04b..1e444f46e9 100644 --- a/include/gmx_x86_avx_256.h +++ b/include/gmx_x86_avx_256.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_x86_avx_256_h_ #define _gmx_x86_avx_256_h_ diff --git a/include/gmx_x86_simd_double.h b/include/gmx_x86_simd_double.h index 42c4d1cf40..91983003cc 100644 --- a/include/gmx_x86_simd_double.h +++ b/include/gmx_x86_simd_double.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_x86_simd_double_h_ #define _gmx_x86_simd_double_h_ diff --git a/include/gmx_x86_simd_macros.h b/include/gmx_x86_simd_macros.h index e08cd224ef..fd85c6e5e6 100644 --- a/include/gmx_x86_simd_macros.h +++ b/include/gmx_x86_simd_macros.h @@ -1,31 +1,38 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* Undefine all defines used below so we can include this file multiple times diff --git a/include/gmx_x86_simd_single.h b/include/gmx_x86_simd_single.h index 10e8836a75..67ae2c22c7 100644 --- a/include/gmx_x86_simd_single.h +++ b/include/gmx_x86_simd_single.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_x86_simd256_single_h_ #define _gmx_x86_simd256_single_h_ diff --git a/include/gmx_x86_sse2.h b/include/gmx_x86_sse2.h index 80f0a7e54e..b66ff2b339 100644 --- a/include/gmx_x86_sse2.h +++ b/include/gmx_x86_sse2.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_x86_sse2_h_ #define _gmx_x86_sse2_h_ diff --git a/include/gmx_x86_sse4_1.h b/include/gmx_x86_sse4_1.h index d8baf09886..3c67d585e2 100644 --- a/include/gmx_x86_sse4_1.h +++ b/include/gmx_x86_sse4_1.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_x86_sse4_1_h_ #define _gmx_x86_sse4_1_h_ diff --git a/include/gmxcomplex.h b/include/gmxcomplex.h index 902f93f928..bf2d8a033f 100644 --- a/include/gmxcomplex.h +++ b/include/gmxcomplex.h @@ -1,37 +1,39 @@ /* - * $Id: gmxcomplex.h,v 1.5 2009/03/07 13:30:36 lindahl Exp $ - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmxcomplex_h #define _gmxcomplex_h diff --git a/include/gmxcpp.h b/include/gmxcpp.h index 5ef5fa34f5..9134da2b37 100644 --- a/include/gmxcpp.h +++ b/include/gmxcpp.h @@ -1,36 +1,40 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmxcpp_h diff --git a/include/gmxfio.h b/include/gmxfio.h index 7fce2f7936..7b0cf78303 100644 --- a/include/gmxfio.h +++ b/include/gmxfio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmxfio_h diff --git a/include/gpp_atomtype.h b/include/gpp_atomtype.h index 908f64b348..29e66c307d 100644 --- a/include/gpp_atomtype.h +++ b/include/gpp_atomtype.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gpp_atomtype_h diff --git a/include/gpp_nextnb.h b/include/gpp_nextnb.h index 105582808d..d8fb61fdda 100644 --- a/include/gpp_nextnb.h +++ b/include/gpp_nextnb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gpp_nextnb_h diff --git a/include/gpu_utils.h b/include/gpu_utils.h index 068e34960f..91cac1c8a0 100644 --- a/include/gpu_utils.h +++ b/include/gpu_utils.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GPU_UTILS_H_ diff --git a/include/grompp.h b/include/grompp.h index dbb651a8ed..3b56e58d15 100644 --- a/include/grompp.h +++ b/include/grompp.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _grompp_h diff --git a/include/gstat.h b/include/gstat.h index 7eb47ecfd4..c6bd7af54f 100644 --- a/include/gstat.h +++ b/include/gstat.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gstat_h diff --git a/include/hackblock.h b/include/hackblock.h index 1397c8063d..c7581aad9f 100644 --- a/include/hackblock.h +++ b/include/hackblock.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _hackblock_h diff --git a/include/histogram.h b/include/histogram.h index dd751685f6..ba671f9a33 100644 --- a/include/histogram.h +++ b/include/histogram.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for calculation of histograms with error estimates. diff --git a/include/index.h b/include/index.h index e03c50019d..512561a3a9 100644 --- a/include/index.h +++ b/include/index.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _index_h diff --git a/include/indexutil.h b/include/indexutil.h index 6c1eacba9a..a10c698ad4 100644 --- a/include/indexutil.h +++ b/include/indexutil.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for handling index files and index groups. diff --git a/include/inputrec.h b/include/inputrec.h index 679eb848cb..e8dde904a4 100644 --- a/include/inputrec.h +++ b/include/inputrec.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2010 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GMX_INPUTREC_H_ #define _GMX_INPUTREC_H_ diff --git a/include/invblock.h b/include/invblock.h index 5774612daa..c8ae8e8760 100644 --- a/include/invblock.h +++ b/include/invblock.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _invblock_h diff --git a/include/macros.h b/include/macros.h index 3c4c23e860..1862a519f0 100644 --- a/include/macros.h +++ b/include/macros.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _macros_h diff --git a/include/main.h b/include/main.h index 397b284424..d6e7afc7ab 100644 --- a/include/main.h +++ b/include/main.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _main_h diff --git a/include/mainpage.h b/include/mainpage.h index 4f485409b9..9c6ddad911 100644 --- a/include/mainpage.h +++ b/include/mainpage.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ /*! \file * \brief Dummy header for Doxygen documentation. * diff --git a/include/maths.h b/include/maths.h index 7db5b321d2..2895026cca 100644 --- a/include/maths.h +++ b/include/maths.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _maths_h diff --git a/include/matio.h b/include/matio.h index 3a7763a45e..17d66257f4 100644 --- a/include/matio.h +++ b/include/matio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _matio_h diff --git a/include/md5.h b/include/md5.h index 15719fdf06..7fe04c73bc 100644 --- a/include/md5.h +++ b/include/md5.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ /* Copyright (C) 1999, 2002 Aladdin Enterprises. All rights reserved. diff --git a/include/md_logging.h b/include/md_logging.h index aa3cb2ab49..62ba662fb0 100644 --- a/include/md_logging.h +++ b/include/md_logging.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _md_logging_h diff --git a/include/md_support.h b/include/md_support.h index e721f665e8..bcb399bd56 100644 --- a/include/md_support.h +++ b/include/md_support.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _md_support_h diff --git a/include/mdatoms.h b/include/mdatoms.h index f1522630f8..a5eb9ae8c5 100644 --- a/include/mdatoms.h +++ b/include/mdatoms.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _mdatoms_h diff --git a/include/mdebin.h b/include/mdebin.h index 659f390e52..49fca76d4b 100644 --- a/include/mdebin.h +++ b/include/mdebin.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _mdebin_h diff --git a/include/mdrun.h b/include/mdrun.h index e71174f8cc..3908b574df 100644 --- a/include/mdrun.h +++ b/include/mdrun.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _mdrun_h diff --git a/include/mpelogging.h b/include/mpelogging.h index 5a5bea6c1d..8e52b5b89a 100644 --- a/include/mpelogging.h +++ b/include/mpelogging.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/mshift.h b/include/mshift.h index 7b3b83bf17..0e600165d7 100644 --- a/include/mshift.h +++ b/include/mshift.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _mshift_h diff --git a/include/mtop_util.h b/include/mtop_util.h index ee2cf93de0..3123c169bf 100644 --- a/include/mtop_util.h +++ b/include/mtop_util.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #include "visibility.h" #include "typedefs.h" diff --git a/include/mtxio.h b/include/mtxio.h index 2eec7b9f36..5b9cac9db2 100644 --- a/include/mtxio.h +++ b/include/mtxio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ /* This module provides routines to read/write sparse or full storage diff --git a/include/mvdata.h b/include/mvdata.h index 08829595b5..e60509fb6d 100644 --- a/include/mvdata.h +++ b/include/mvdata.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _mvdata_h diff --git a/include/names.h b/include/names.h index e2f484caa4..9b8778bd15 100644 --- a/include/names.h +++ b/include/names.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _names_h diff --git a/include/nbnxn_cuda_data_mgmt.h b/include/nbnxn_cuda_data_mgmt.h index 24d00f0fea..6d8df5b07a 100644 --- a/include/nbnxn_cuda_data_mgmt.h +++ b/include/nbnxn_cuda_data_mgmt.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef NBNXN_CUDA_DATA_MGMT_H diff --git a/include/nbsearch.h b/include/nbsearch.h index 5dd73521ea..bff7a88a52 100644 --- a/include/nbsearch.h +++ b/include/nbsearch.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for neighborhood searching. diff --git a/include/network.h b/include/network.h index c224e5fb55..f44a3c700f 100644 --- a/include/network.h +++ b/include/network.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _network_h diff --git a/include/nonbonded.h b/include/nonbonded.h index 731a6a5099..b723ef4bbb 100644 --- a/include/nonbonded.h +++ b/include/nonbonded.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nonbonded_h diff --git a/include/nrama.h b/include/nrama.h index a1658d23c8..9fc4e29e9f 100644 --- a/include/nrama.h +++ b/include/nrama.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nrama_h diff --git a/include/nrjac.h b/include/nrjac.h index 9d5b409311..7f781a7bcc 100644 --- a/include/nrjac.h +++ b/include/nrjac.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nrjac_h diff --git a/include/nrnb.h b/include/nrnb.h index 728a7ce1a6..34bc662152 100644 --- a/include/nrnb.h +++ b/include/nrnb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nrnb_h diff --git a/include/ns.h b/include/ns.h index 53515230e6..33296d1de2 100644 --- a/include/ns.h +++ b/include/ns.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _ns_h diff --git a/include/nsgrid.h b/include/nsgrid.h index cb9b754259..fbdef85540 100644 --- a/include/nsgrid.h +++ b/include/nsgrid.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #include "visibility.h" #include "typedefs.h" diff --git a/include/oenv.h b/include/oenv.h index a2411e9d9b..6a917ead3b 100644 --- a/include/oenv.h +++ b/include/oenv.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _oenv_h diff --git a/include/orires.h b/include/orires.h index 51dd43f0d3..58faaa68fb 100644 --- a/include/orires.h +++ b/include/orires.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _orires_h diff --git a/include/partdec.h b/include/partdec.h index 3749aea4c8..6f53c702e1 100644 --- a/include/partdec.h +++ b/include/partdec.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _partdec_h diff --git a/include/pbc.h b/include/pbc.h index 8ff6665990..97751aebe6 100644 --- a/include/pbc.h +++ b/include/pbc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _types_pbc_h diff --git a/include/pdb2top.h b/include/pdb2top.h index 15def43ba2..0a88d14efc 100644 --- a/include/pdb2top.h +++ b/include/pdb2top.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pdb2top_h diff --git a/include/pdbio.h b/include/pdbio.h index a1e0c20007..978cf4778a 100644 --- a/include/pdbio.h +++ b/include/pdbio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pdbio_h diff --git a/include/perf_est.h b/include/perf_est.h index 0ec60a5e0d..61dd844dbc 100644 --- a/include/perf_est.h +++ b/include/perf_est.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _perf_est_h #define _perf_est_h diff --git a/include/physics.h b/include/physics.h index e707f0af20..82ef0ad1b8 100644 --- a/include/physics.h +++ b/include/physics.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _physics_h diff --git a/include/pmalloc_cuda.h b/include/pmalloc_cuda.h index 4cc2c76097..41ae802433 100644 --- a/include/pmalloc_cuda.h +++ b/include/pmalloc_cuda.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef PMALLOC_CUDA_H diff --git a/include/pme.h b/include/pme.h index 9a1c6af42e..7ba5a1a366 100644 --- a/include/pme.h +++ b/include/pme.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pme_h diff --git a/include/poscalc.h b/include/poscalc.h index aaac1836df..fd7381cb86 100644 --- a/include/poscalc.h +++ b/include/poscalc.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for structured and optimized calculation of positions. diff --git a/include/position.h b/include/position.h index 4e27d513ae..1f0e581386 100644 --- a/include/position.h +++ b/include/position.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for handling positions. diff --git a/include/princ.h b/include/princ.h index 02fa86cec9..372d70c84f 100644 --- a/include/princ.h +++ b/include/princ.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _princ_h diff --git a/include/pull.h b/include/pull.h index ec8fba881c..fd5eb320c8 100644 --- a/include/pull.h +++ b/include/pull.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pull_h diff --git a/include/pull_rotation.h b/include/pull_rotation.h index 46afb3f313..20d67e9539 100644 --- a/include/pull_rotation.h +++ b/include/pull_rotation.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file pull_rotation.h diff --git a/include/qmmm.h b/include/qmmm.h index 4d856fa90d..6b198c6ff8 100644 --- a/include/qmmm.h +++ b/include/qmmm.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _QMMM_h diff --git a/include/random.h b/include/random.h index d399707ba9..858d018c64 100644 --- a/include/random.h +++ b/include/random.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _random_h diff --git a/include/rbin.h b/include/rbin.h index b5c387c331..4bdefc8261 100644 --- a/include/rbin.h +++ b/include/rbin.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _rbin_h diff --git a/include/readinp.h b/include/readinp.h index 244043f98d..ccc751efa6 100644 --- a/include/readinp.h +++ b/include/readinp.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _readinp_h diff --git a/include/resall.h b/include/resall.h index b94d2be4fc..ceec128f67 100644 --- a/include/resall.h +++ b/include/resall.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _resall_h diff --git a/include/rmpbc.h b/include/rmpbc.h index 32299d8b48..90fe3ad6b5 100644 --- a/include/rmpbc.h +++ b/include/rmpbc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _rmpbc_h diff --git a/include/selection.h b/include/selection.h index 0b2fbe8286..03450a6479 100644 --- a/include/selection.h +++ b/include/selection.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for handling selection (the \c gmx_ana_selection_t structure and related functions). diff --git a/include/selmethod.h b/include/selmethod.h index f47dc37770..611beec0b1 100644 --- a/include/selmethod.h +++ b/include/selmethod.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \page selmethods Custom selection methods * diff --git a/include/selparam.h b/include/selparam.h index a10b609a9d..97de69c560 100644 --- a/include/selparam.h +++ b/include/selparam.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief API for handling parameters used in selections. diff --git a/include/selvalue.h b/include/selvalue.h index 8460fe89a3..84cef59d37 100644 --- a/include/selvalue.h +++ b/include/selvalue.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief Declaration of \c gmx_ana_selvalue_t. diff --git a/include/sfactor.h b/include/sfactor.h index 503b178a1a..ea5e0d66d2 100644 --- a/include/sfactor.h +++ b/include/sfactor.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _sfactor_h diff --git a/include/shellfc.h b/include/shellfc.h index 1826b3479d..ba6845ebf0 100644 --- a/include/shellfc.h +++ b/include/shellfc.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #include "visibility.h" #include "typedefs.h" diff --git a/include/shift.h b/include/shift.h index ba9269e85a..8d8040338d 100644 --- a/include/shift.h +++ b/include/shift.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _shift_h diff --git a/include/sighandler.h b/include/sighandler.h index 90a224a66c..1816c1de9d 100644 --- a/include/sighandler.h +++ b/include/sighandler.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _sighandler_h diff --git a/include/sim_util.h b/include/sim_util.h index 8eecf7a724..b9dcf16e35 100644 --- a/include/sim_util.h +++ b/include/sim_util.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _sim_util_h diff --git a/include/smalloc.h b/include/smalloc.h index 8959f544e6..f623241dd4 100644 --- a/include/smalloc.h +++ b/include/smalloc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _smalloc_h diff --git a/include/sortwater.h b/include/sortwater.h index 3e2a3fc622..5fb8f4ec79 100644 --- a/include/sortwater.h +++ b/include/sortwater.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _sortwater_h diff --git a/include/sparsematrix.h b/include/sparsematrix.h index 89b9cf297d..0c3c3a4784 100644 --- a/include/sparsematrix.h +++ b/include/sparsematrix.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _SPARSEMATRIX_H_ #define _SPARSEMATRIX_H_ diff --git a/include/split.h b/include/split.h index 3df648cbb7..31b31a9acc 100644 --- a/include/split.h +++ b/include/split.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _split_h diff --git a/include/splitter.h b/include/splitter.h index 6039da1d4d..2b1a63f63b 100644 --- a/include/splitter.h +++ b/include/splitter.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _splitter_h diff --git a/include/statutil.h b/include/statutil.h index 82dda3e24f..a2c3bdd29b 100644 --- a/include/statutil.h +++ b/include/statutil.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _statutil_h diff --git a/include/strdb.h b/include/strdb.h index 4db0cf99ba..28d0fb7902 100644 --- a/include/strdb.h +++ b/include/strdb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _strdb_h diff --git a/include/string2.h b/include/string2.h index 068477d822..26deba8ea3 100644 --- a/include/string2.h +++ b/include/string2.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief Generic string handling functions. diff --git a/include/symtab.h b/include/symtab.h index 2a7b59b4ac..ebcfc4111f 100644 --- a/include/symtab.h +++ b/include/symtab.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _symtab_h diff --git a/include/sysstuff.h b/include/sysstuff.h index 317b941284..25387206e2 100644 --- a/include/sysstuff.h +++ b/include/sysstuff.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _sysstuff_h diff --git a/include/tables.h b/include/tables.h index edd055ac94..def5d5fefa 100644 --- a/include/tables.h +++ b/include/tables.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _tables_h diff --git a/include/tgroup.h b/include/tgroup.h index 386a585cd4..d27db5e662 100644 --- a/include/tgroup.h +++ b/include/tgroup.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _tgroup_h diff --git a/include/topsort.h b/include/topsort.h index ff3ea1bb63..3237eed231 100644 --- a/include/topsort.h +++ b/include/topsort.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #ifndef _topsort_h #define _topsort_h diff --git a/include/toputil.h b/include/toputil.h index b8bddb4d1b..2d4cddb8c4 100644 --- a/include/toputil.h +++ b/include/toputil.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _toputil_h diff --git a/include/tpxio.h b/include/tpxio.h index 145b41d1a1..0dec329f3f 100644 --- a/include/tpxio.h +++ b/include/tpxio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _tpxio_h diff --git a/include/trajana.h b/include/trajana.h index a6828c83af..42bff59464 100644 --- a/include/trajana.h +++ b/include/trajana.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief Main API of the trajectory analysis library. diff --git a/include/trnio.h b/include/trnio.h index fe6f7df8b0..cd51ce39a2 100644 --- a/include/trnio.h +++ b/include/trnio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _trnio_h diff --git a/include/txtdump.h b/include/txtdump.h index 28eed7eabf..5e11f59321 100644 --- a/include/txtdump.h +++ b/include/txtdump.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _txtdump_h diff --git a/include/typedefs.h b/include/typedefs.h index 6f27e322d5..aa28481082 100644 --- a/include/typedefs.h +++ b/include/typedefs.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _typedefs_h diff --git a/include/types/atoms.h b/include/types/atoms.h index ce5eb7d80e..81959a1ed8 100644 --- a/include/types/atoms.h +++ b/include/types/atoms.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _atoms_h #define _atoms_h diff --git a/include/types/block.h b/include/types/block.h index fc2d06678c..696a102aff 100644 --- a/include/types/block.h +++ b/include/types/block.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _block_h #define _block_h diff --git a/include/types/commrec.h b/include/types/commrec.h index 78bf3f74dd..4d8a93efa9 100644 --- a/include/types/commrec.h +++ b/include/types/commrec.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _commrec_h #define _commrec_h diff --git a/include/types/constr.h b/include/types/constr.h index 7630a02629..c60965720a 100644 --- a/include/types/constr.h +++ b/include/types/constr.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _types_constr_h diff --git a/include/types/energy.h b/include/types/energy.h index a839ba71bf..a0ba1417b1 100644 --- a/include/types/energy.h +++ b/include/types/energy.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #include "simple.h" diff --git a/include/types/enums.h b/include/types/enums.h index 7b0fa51d5c..8105d959c7 100644 --- a/include/types/enums.h +++ b/include/types/enums.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef ENUMS_H_ diff --git a/include/types/fcdata.h b/include/types/fcdata.h index 014ad0b936..7d7d4f2498 100644 --- a/include/types/fcdata.h +++ b/include/types/fcdata.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _fcdata_h #define _fcdata_h diff --git a/include/types/filenm.h b/include/types/filenm.h index 221060f3b9..854a8d9be3 100644 --- a/include/types/filenm.h +++ b/include/types/filenm.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef __cplusplus diff --git a/include/types/force_flags.h b/include/types/force_flags.h index 4b22e5b6ec..d6c9c8af48 100644 --- a/include/types/force_flags.h +++ b/include/types/force_flags.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _force_flags_h diff --git a/include/types/forcerec.h b/include/types/forcerec.h index a55a601a18..56ac2835b4 100644 --- a/include/types/forcerec.h +++ b/include/types/forcerec.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #include "ns.h" diff --git a/include/types/genborn.h b/include/types/genborn.h index 8461574979..94a46dc0f7 100644 --- a/include/types/genborn.h +++ b/include/types/genborn.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/types/globsig.h b/include/types/globsig.h index 29c634cc05..2e768df738 100644 --- a/include/types/globsig.h +++ b/include/types/globsig.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _globsig_h #define _globsig_h diff --git a/include/types/graph.h b/include/types/graph.h index 24ecf8e2f1..96c94ba30c 100644 --- a/include/types/graph.h +++ b/include/types/graph.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _types_graph_h diff --git a/include/types/group.h b/include/types/group.h index 08b1756702..11acf1864f 100644 --- a/include/types/group.h +++ b/include/types/group.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/types/hw_info.h b/include/types/hw_info.h index 179b669bee..e800856e09 100644 --- a/include/types/hw_info.h +++ b/include/types/hw_info.h @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef HWINFO_H diff --git a/include/types/idef.h b/include/types/idef.h index 635c4e7141..b591e7f00c 100644 --- a/include/types/idef.h +++ b/include/types/idef.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/types/ifunc.h b/include/types/ifunc.h index add24225c5..5c1a756f30 100644 --- a/include/types/ifunc.h +++ b/include/types/ifunc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/types/inputrec.h b/include/types/inputrec.h index a3d9c6fd7f..e5d93e9c3b 100644 --- a/include/types/inputrec.h +++ b/include/types/inputrec.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _inputrec_h_ #define _inputrec_h_ diff --git a/include/types/interaction_const.h b/include/types/interaction_const.h index 52f343bbca..2a2faed394 100644 --- a/include/types/interaction_const.h +++ b/include/types/interaction_const.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _INTERACTION_CONST_ diff --git a/include/types/ishift.h b/include/types/ishift.h index 4b4dc3251e..7b9764079b 100644 --- a/include/types/ishift.h +++ b/include/types/ishift.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/types/iteratedconstraints.h b/include/types/iteratedconstraints.h index 954c954413..929df4b51a 100644 --- a/include/types/iteratedconstraints.h +++ b/include/types/iteratedconstraints.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _iteratedconstraints_h #define _iteratedconstraints_h diff --git a/include/types/matrix.h b/include/types/matrix.h index 9444361c4a..58e0ab7d78 100644 --- a/include/types/matrix.h +++ b/include/types/matrix.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef __cplusplus diff --git a/include/types/mdatom.h b/include/types/mdatom.h index c39d0ecb7c..0311a4071c 100644 --- a/include/types/mdatom.h +++ b/include/types/mdatom.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _mdatom_h diff --git a/include/types/membedt.h b/include/types/membedt.h index b1a47ff577..5f2cce7e5a 100644 --- a/include/types/membedt.h +++ b/include/types/membedt.h @@ -1,35 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _membedt_h diff --git a/include/types/nb_verlet.h b/include/types/nb_verlet.h index fcbe6eaf73..32dd9432d7 100644 --- a/include/types/nb_verlet.h +++ b/include/types/nb_verlet.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef NB_VERLET_H diff --git a/include/types/nblist.h b/include/types/nblist.h index c4786511fe..555150ae1b 100644 --- a/include/types/nblist.h +++ b/include/types/nblist.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nblist_h #define _nblist_h diff --git a/include/types/nbnxn_cuda_types_ext.h b/include/types/nbnxn_cuda_types_ext.h index dd8c6206be..b513f59b83 100644 --- a/include/types/nbnxn_cuda_types_ext.h +++ b/include/types/nbnxn_cuda_types_ext.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef NBNXN_CUDA_TYPES_EXT_H diff --git a/include/types/nbnxn_pairlist.h b/include/types/nbnxn_pairlist.h index 03cc48c62b..8b632fe64a 100644 --- a/include/types/nbnxn_pairlist.h +++ b/include/types/nbnxn_pairlist.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_pairlist_h diff --git a/include/types/nlistheuristics.h b/include/types/nlistheuristics.h index f86e1495a4..ffbada4c28 100644 --- a/include/types/nlistheuristics.h +++ b/include/types/nlistheuristics.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nlistheuristics_h #define _nlistheuristics_h diff --git a/include/types/nrnb.h b/include/types/nrnb.h index ba594c2ba6..e75d8c37df 100644 --- a/include/types/nrnb.h +++ b/include/types/nrnb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _types_nrnb_h #define _types_nrnb_h diff --git a/include/types/ns.h b/include/types/ns.h index b23de7681c..00254da01e 100644 --- a/include/types/ns.h +++ b/include/types/ns.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #include "nsgrid.h" diff --git a/include/types/nsgrid.h b/include/types/nsgrid.h index 7dd9988568..ec92ed9cae 100644 --- a/include/types/nsgrid.h +++ b/include/types/nsgrid.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nsgrid_h #define _nsgrid_h diff --git a/include/types/oenv.h b/include/types/oenv.h index 8ce72f5047..6ab8f67c83 100644 --- a/include/types/oenv.h +++ b/include/types/oenv.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef __cplusplus diff --git a/include/types/pbc.h b/include/types/pbc.h index b94f77dc70..9c74686d46 100644 --- a/include/types/pbc.h +++ b/include/types/pbc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pbc_h #define _pbc_h diff --git a/include/types/qmmmrec.h b/include/types/qmmmrec.h index f516153e4d..c30ae0de44 100644 --- a/include/types/qmmmrec.h +++ b/include/types/qmmmrec.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/types/shellfc.h b/include/types/shellfc.h index 3f7a2ed3ec..5da05dd749 100644 --- a/include/types/shellfc.h +++ b/include/types/shellfc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/include/types/simple.h b/include/types/simple.h index 72868210f9..37712c550b 100644 --- a/include/types/simple.h +++ b/include/types/simple.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _simple_h diff --git a/include/types/state.h b/include/types/state.h index b4256a1206..2b7d315ac2 100644 --- a/include/types/state.h +++ b/include/types/state.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _state_h_ #define _state_h_ diff --git a/include/types/symtab.h b/include/types/symtab.h index 5f33215eb8..9ea18a1561 100644 --- a/include/types/symtab.h +++ b/include/types/symtab.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _types_symtab_h #define _types_symtab_h diff --git a/include/types/topology.h b/include/types/topology.h index cf8be0e354..5b4bddcab2 100644 --- a/include/types/topology.h +++ b/include/types/topology.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ #include "atoms.h" diff --git a/include/types/trx.h b/include/types/trx.h index 8523957809..03cf6c5a1b 100644 --- a/include/types/trx.h +++ b/include/types/trx.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GRoups of Organic Molecules in ACtion for Science + * the research papers on the package. Check out http://www.gromacs.org. */ /* The gmx_bools indicate whether a field was read from the trajectory. diff --git a/include/update.h b/include/update.h index 67f15f5d3a..b9161e2a5b 100644 --- a/include/update.h +++ b/include/update.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _update_h diff --git a/include/vcm.h b/include/vcm.h index 84c5a6a50e..2d94611270 100644 --- a/include/vcm.h +++ b/include/vcm.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _vcm_h diff --git a/include/vec.h b/include/vec.h index a6df84f0d9..6c9995f277 100644 --- a/include/vec.h +++ b/include/vec.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _vec_h #define _vec_h diff --git a/include/version.h.cmakein b/include/version.h.cmakein index ae45be6e0b..5646683733 100644 --- a/include/version.h.cmakein +++ b/include/version.h.cmakein @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_version_h diff --git a/include/viewit.h b/include/viewit.h index e252f5a0b2..270ce8cdb1 100644 --- a/include/viewit.h +++ b/include/viewit.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _viewit_h diff --git a/include/vsite.h b/include/vsite.h index 8a7baa7542..50edc3d405 100644 --- a/include/vsite.h +++ b/include/vsite.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _vsite_h diff --git a/include/warninp.h b/include/warninp.h index 6df43ec9b8..6965a1aa52 100644 --- a/include/warninp.h +++ b/include/warninp.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _warninp_h diff --git a/include/wgms.h b/include/wgms.h index 11224ce624..73630cd2de 100644 --- a/include/wgms.h +++ b/include/wgms.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _wgms_h diff --git a/include/wman.h b/include/wman.h index 03222ab6f1..59aae743e4 100644 --- a/include/wman.h +++ b/include/wman.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _wman_h diff --git a/include/writeps.h b/include/writeps.h index fe43d5c248..1a9d926124 100644 --- a/include/writeps.h +++ b/include/writeps.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _writeps_h diff --git a/include/xdrf.h b/include/xdrf.h index 7cf870ef7e..bfda3b7709 100644 --- a/include/xdrf.h +++ b/include/xdrf.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xdrf_h diff --git a/include/xtcio.h b/include/xtcio.h index 3c0db2fdb4..f82baee528 100644 --- a/include/xtcio.h +++ b/include/xtcio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xtcio_h diff --git a/include/xvgr.h b/include/xvgr.h index b641da667c..c6004bdcde 100644 --- a/include/xvgr.h +++ b/include/xvgr.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xvgr_h diff --git a/scripts/CMakeLists.txt b/scripts/CMakeLists.txt index 2e0b89b502..7ea6539ed6 100644 --- a/scripts/CMakeLists.txt +++ b/scripts/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# configure_file(${CMAKE_CURRENT_SOURCE_DIR}/GMXRC.cmakein ${CMAKE_CURRENT_BINARY_DIR}/GMXRC @ONLY) configure_file(${CMAKE_CURRENT_SOURCE_DIR}/GMXRC.bash.cmakein ${CMAKE_CURRENT_BINARY_DIR}/GMXRC.bash @ONLY) configure_file(${CMAKE_CURRENT_SOURCE_DIR}/GMXRC.csh.cmakein ${CMAKE_CURRENT_BINARY_DIR}/GMXRC.csh @ONLY) diff --git a/share/CMakeLists.txt b/share/CMakeLists.txt index 66d05c1ecb..e0d145a220 100644 --- a/share/CMakeLists.txt +++ b/share/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Data: Nothing to build, just installation install(DIRECTORY . DESTINATION ${DATA_INSTALL_DIR} COMPONENT data diff --git a/share/template/CMakeLists.txt b/share/template/CMakeLists.txt index 320ab827cb..e426784be0 100644 --- a/share/template/CMakeLists.txt +++ b/share/template/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# install(FILES CMakeLists.txt.template DESTINATION ${DATA_INSTALL_DIR}/template RENAME CMakeLists.txt diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index ebe8f69544..d61fcf0d4c 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# configure_file(config.h.cmakein config.h) configure_file(buildinfo.h.cmakein buildinfo.h) diff --git a/src/buildinfo.h.cmakein b/src/buildinfo.h.cmakein index 473c602115..49ca7b57b9 100644 --- a/src/buildinfo.h.cmakein +++ b/src/buildinfo.h.cmakein @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ /*! \internal \file * \brief * Build information from the build system. diff --git a/src/config.h.cmakein b/src/config.h.cmakein index 40bb5d7a2c..b2c9855867 100644 --- a/src/config.h.cmakein +++ b/src/config.h.cmakein @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ /* Manually created from config.h.in to work with cmake */ /* Disable warnings about double-to-float conversion accuracy loss on MSVC */ diff --git a/src/contrib/CMakeLists.txt b/src/contrib/CMakeLists.txt index b43b007dff..ed3084afa8 100644 --- a/src/contrib/CMakeLists.txt +++ b/src/contrib/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# set(CONTRIB_PROGRAMS #add here any programs you want to compile ) diff --git a/src/contrib/addquote.c b/src/contrib/addquote.c index ea58878135..31b9593613 100644 --- a/src/contrib/addquote.c +++ b/src/contrib/addquote.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/anaf.c b/src/contrib/anaf.c index e00de26062..04d4b5e232 100644 --- a/src/contrib/anaf.c +++ b/src/contrib/anaf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/calcfdev.c b/src/contrib/calcfdev.c index 371156f7ee..2d585e2df4 100644 --- a/src/contrib/calcfdev.c +++ b/src/contrib/calcfdev.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/compnl.c b/src/contrib/compnl.c index 09348f5d18..997c43b82e 100644 --- a/src/contrib/compnl.c +++ b/src/contrib/compnl.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/copyrgt.c b/src/contrib/copyrgt.c index e3019241f5..5c0ea31411 100644 --- a/src/contrib/copyrgt.c +++ b/src/contrib/copyrgt.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/do_multiprot.c b/src/contrib/do_multiprot.c index ed59ba2295..a0a4ec1498 100644 --- a/src/contrib/do_multiprot.c +++ b/src/contrib/do_multiprot.c @@ -1,38 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * This source code is NOT REALLY part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.2.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org * - * Author: do_multiprot was written by Ran Friedman - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/contrib/do_shift.c b/src/contrib/do_shift.c index 4f2f443292..e18090d7f6 100644 --- a/src/contrib/do_shift.c +++ b/src/contrib/do_shift.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/ehanal.c b/src/contrib/ehanal.c index c86f736a4e..f688823755 100644 --- a/src/contrib/ehanal.c +++ b/src/contrib/ehanal.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/ehdata.c b/src/contrib/ehdata.c index cc8137864b..e486273e02 100644 --- a/src/contrib/ehdata.c +++ b/src/contrib/ehdata.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/ehdata.h b/src/contrib/ehdata.h index 107ae80b7b..5140f96d09 100644 --- a/src/contrib/ehdata.h +++ b/src/contrib/ehdata.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Good gRace! Old Maple Actually Chews Slate + * the research papers on the package. Check out http://www.gromacs.org. */ extern real get_omega(real ekin,int *seed,FILE *fp,char *fn); diff --git a/src/contrib/ehole.c b/src/contrib/ehole.c index 7fca28a72f..9bf6210a33 100644 --- a/src/contrib/ehole.c +++ b/src/contrib/ehole.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/g_anavel.c b/src/contrib/g_anavel.c index e4eba47f83..d6494e5d4b 100644 --- a/src/contrib/g_anavel.c +++ b/src/contrib/g_anavel.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/g_sdf.c b/src/contrib/g_sdf.c index 1e020c4664..cfec2c9d5b 100644 --- a/src/contrib/g_sdf.c +++ b/src/contrib/g_sdf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/gen_table.c b/src/contrib/gen_table.c index 1ae2912ace..1de567fdd1 100644 --- a/src/contrib/gen_table.c +++ b/src/contrib/gen_table.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #include #include diff --git a/src/contrib/hexamer.c b/src/contrib/hexamer.c index b950f2b89e..7263915bba 100644 --- a/src/contrib/hexamer.c +++ b/src/contrib/hexamer.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/hrefify.c b/src/contrib/hrefify.c index d9d02944c9..aab20afa1a 100644 --- a/src/contrib/hrefify.c +++ b/src/contrib/hrefify.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/intest.f b/src/contrib/intest.f index 4c637b1a32..fe592c22e6 100644 --- a/src/contrib/intest.f +++ b/src/contrib/intest.f @@ -1,35 +1,39 @@ C -C This source code is part of -C -C G R O M A C S -C -C GROningen MAchine for Chemical Simulations -C -C VERSION 3.0 -C +C This file is part of the GROMACS molecular simulation package. +C C Copyright (c) 1991-2001 C BIOSON Research Institute, Dept. of Biophysical Chemistry C University of Groningen, The Netherlands -C -C This program is free software; you can redistribute it and/or -C modify it under the terms of the GNU General Public License -C as published by the Free Software Foundation; either version 2 +C Copyright (c) 2012, by the GROMACS development team, led by +C David van der Spoel, Berk Hess, Erik Lindahl, and including many +C others, as listed in the AUTHORS file in the top-level source +C directory and at http://www.gromacs.org. +C +C GROMACS is free software; you can redistribute it and/or +C modify it under the terms of the GNU Lesser General Public License +C as published by the Free Software Foundation; either version 2.1 C of the License, or (at your option) any later version. -C -C If you want to redistribute modifications, please consider that -C scientific software is very special. Version control is crucial - -C bugs must be traceable. We will be happy to consider code for -C inclusion in the official distribution, but derived work must not -C be called official GROMACS. Details are found in the README & COPYING -C files - if they are missing, get the official version at www.gromacs.org. -C +C +C GROMACS is distributed in the hope that it will be useful, +C but WITHOUT ANY WARRANTY; without even the implied warranty of +C MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +C Lesser General Public License for more details. +C +C You should have received a copy of the GNU Lesser General Public +C License along with GROMACS; if not, see +C http://www.gnu.org/licenses, or write to the Free Software Foundation, +C Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +C +C If you want to redistribute modifications to GROMACS, please +C consider that scientific software is very special. Version +C control is crucial - bugs must be traceable. We will be happy to +C consider code for inclusion in the official distribution, but +C derived work must not be called official GROMACS. Details are found +C in the README & COPYING files - if they are missing, get the +C official version at http://www.gromacs.org. +C C To help us fund GROMACS development, we humbly ask that you cite -C the papers on the package - you can find them in the top README file. -C -C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . -C -C And Hey: -C GROup of MAchos and Cynical Suckers +C the research papers on the package. Check out http://www.gromacs.org. C C This code is meant to be called from C routines. diff --git a/src/contrib/mkice.c b/src/contrib/mkice.c index f9ee5bf48e..636edbdb3c 100644 --- a/src/contrib/mkice.c +++ b/src/contrib/mkice.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/optwat.c b/src/contrib/optwat.c index 033a56a8b8..90954b38a8 100644 --- a/src/contrib/optwat.c +++ b/src/contrib/optwat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/pmetest.c b/src/contrib/pmetest.c index 494bc32d0f..60263e83e7 100644 --- a/src/contrib/pmetest.c +++ b/src/contrib/pmetest.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/prfn.c b/src/contrib/prfn.c index ef546c5345..d634bfed7e 100644 --- a/src/contrib/prfn.c +++ b/src/contrib/prfn.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/test.c b/src/contrib/test.c index 06bd506b36..627687d2ee 100644 --- a/src/contrib/test.c +++ b/src/contrib/test.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/contrib/testfft.c b/src/contrib/testfft.c index 4c1c427714..4986730384 100644 --- a/src/contrib/testfft.c +++ b/src/contrib/testfft.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #include #include diff --git a/src/contrib/testlr.c b/src/contrib/testlr.c index aeba9650f0..089fad0a86 100644 --- a/src/contrib/testlr.c +++ b/src/contrib/testlr.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #include #include diff --git a/src/contrib/testtab.c b/src/contrib/testtab.c index ea4d15ae56..122cfd484c 100644 --- a/src/contrib/testtab.c +++ b/src/contrib/testtab.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ diff --git a/src/contrib/timefft.c b/src/contrib/timefft.c index b2cc660990..65f286fa65 100644 --- a/src/contrib/timefft.c +++ b/src/contrib/timefft.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #include #include diff --git a/src/contrib/total.f b/src/contrib/total.f index 5b7b571530..447f36e599 100644 --- a/src/contrib/total.f +++ b/src/contrib/total.f @@ -1,3 +1,37 @@ +C +C This file is part of the GROMACS molecular simulation package. +C +C Copyright (c) 2012, by the GROMACS development team, led by +C David van der Spoel, Berk Hess, Erik Lindahl, and including many +C others, as listed in the AUTHORS file in the top-level source +C directory and at http://www.gromacs.org. +C +C GROMACS is free software; you can redistribute it and/or +C modify it under the terms of the GNU Lesser General Public License +C as published by the Free Software Foundation; either version 2.1 +C of the License, or (at your option) any later version. +C +C GROMACS is distributed in the hope that it will be useful, +C but WITHOUT ANY WARRANTY; without even the implied warranty of +C MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +C Lesser General Public License for more details. +C +C You should have received a copy of the GNU Lesser General Public +C License along with GROMACS; if not, see +C http://www.gnu.org/licenses, or write to the Free Software Foundation, +C Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +C +C If you want to redistribute modifications to GROMACS, please +C consider that scientific software is very special. Version +C control is crucial - bugs must be traceable. We will be happy to +C consider code for inclusion in the official distribution, but +C derived work must not be called official GROMACS. Details are found +C in the README & COPYING files - if they are missing, get the +C official version at http://www.gromacs.org. +C +C To help us fund GROMACS development, we humbly ask that you cite +C the research papers on the package. Check out http://www.gromacs.org. + C Chemical shift calculation, to read in multiple NMR structures C (with protons) and calculate sd for each C Will also read Xray structures and add protons diff --git a/src/gmxlib/3dview.c b/src/gmxlib/3dview.c index de8dd068c5..3b7489f0e4 100644 --- a/src/gmxlib/3dview.c +++ b/src/gmxlib/3dview.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/CMakeLists.txt b/src/gmxlib/CMakeLists.txt index 5054a4abf9..5ba3ded2d9 100644 --- a/src/gmxlib/CMakeLists.txt +++ b/src/gmxlib/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# include_directories(${CMAKE_CURRENT_SOURCE_DIR}) add_subdirectory(nonbonded) diff --git a/src/gmxlib/atomprop.c b/src/gmxlib/atomprop.c index a2bc622e11..6c3d5a5bc0 100644 --- a/src/gmxlib/atomprop.c +++ b/src/gmxlib/atomprop.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/bfunc.h b/src/gmxlib/bfunc.h index 02f03ca22b..e14696bfbd 100644 --- a/src/gmxlib/bfunc.h +++ b/src/gmxlib/bfunc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* * bfunc.h diff --git a/src/gmxlib/bondfree.c b/src/gmxlib/bondfree.c index 42a0c25679..3d06afb39b 100644 --- a/src/gmxlib/bondfree.c +++ b/src/gmxlib/bondfree.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/calcgrid.c b/src/gmxlib/calcgrid.c index ede8b4dba9..5f0b7f45b0 100644 --- a/src/gmxlib/calcgrid.c +++ b/src/gmxlib/calcgrid.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/calch.c b/src/gmxlib/calch.c index 0aa28c24a1..3e8233049d 100644 --- a/src/gmxlib/calch.c +++ b/src/gmxlib/calch.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/chargegroup.c b/src/gmxlib/chargegroup.c index c2f8e3fbc0..5e3fd96974 100644 --- a/src/gmxlib/chargegroup.c +++ b/src/gmxlib/chargegroup.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/checkpoint.c b/src/gmxlib/checkpoint.c index 896bb9ed4f..20be93520f 100644 --- a/src/gmxlib/checkpoint.c +++ b/src/gmxlib/checkpoint.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ /* The source code in this file should be thread-safe. diff --git a/src/gmxlib/cinvsqrtdata.c b/src/gmxlib/cinvsqrtdata.c index 4fa55effa7..fb54fab3c4 100644 --- a/src/gmxlib/cinvsqrtdata.c +++ b/src/gmxlib/cinvsqrtdata.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/confio.c b/src/gmxlib/confio.c index 886983a6d5..5c6a88aefc 100644 --- a/src/gmxlib/confio.c +++ b/src/gmxlib/confio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/copyrite.c b/src/gmxlib/copyrite.c index 9dcee4977b..574dcee2f7 100644 --- a/src/gmxlib/copyrite.c +++ b/src/gmxlib/copyrite.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/crecipdata.c b/src/gmxlib/crecipdata.c index 1144e0c3db..7d943bacfc 100644 --- a/src/gmxlib/crecipdata.c +++ b/src/gmxlib/crecipdata.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ diff --git a/src/gmxlib/cuda_tools/CMakeLists.txt b/src/gmxlib/cuda_tools/CMakeLists.txt index e008c50795..7c09ff7825 100644 --- a/src/gmxlib/cuda_tools/CMakeLists.txt +++ b/src/gmxlib/cuda_tools/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# if(GMX_GPU) file(GLOB CUDA_TOOLS_SOURCES *.cu) CUDA_ADD_LIBRARY(cuda_tools STATIC ${CUDA_TOOLS_SOURCES} diff --git a/src/gmxlib/cuda_tools/cudautils.cu b/src/gmxlib/cuda_tools/cudautils.cu index 606a811692..3f1bd5e1c9 100644 --- a/src/gmxlib/cuda_tools/cudautils.cu +++ b/src/gmxlib/cuda_tools/cudautils.cu @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #include diff --git a/src/gmxlib/cuda_tools/cudautils.cuh b/src/gmxlib/cuda_tools/cudautils.cuh index fe1f47cba7..62120df86f 100644 --- a/src/gmxlib/cuda_tools/cudautils.cuh +++ b/src/gmxlib/cuda_tools/cudautils.cuh @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef CUDAUTILS_CUH diff --git a/src/gmxlib/cuda_tools/pmalloc_cuda.cu b/src/gmxlib/cuda_tools/pmalloc_cuda.cu index ac80122ecd..ea416802bb 100644 --- a/src/gmxlib/cuda_tools/pmalloc_cuda.cu +++ b/src/gmxlib/cuda_tools/pmalloc_cuda.cu @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #include diff --git a/src/gmxlib/cuda_tools/vectype_ops.cuh b/src/gmxlib/cuda_tools/vectype_ops.cuh index a2657b240b..774b9c2814 100644 --- a/src/gmxlib/cuda_tools/vectype_ops.cuh +++ b/src/gmxlib/cuda_tools/vectype_ops.cuh @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef VECTYPE_OPS_CUH diff --git a/src/gmxlib/debugb.h b/src/gmxlib/debugb.h index a340dbaaee..87896df33d 100644 --- a/src/gmxlib/debugb.h +++ b/src/gmxlib/debugb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef DEBUG #define DEBUG_BOND(log,x,ai,aj,dx,dr2,dr,bondparams,delta_r,vbond,fbond,fij) diff --git a/src/gmxlib/disre.c b/src/gmxlib/disre.c index dc7bd69ca1..21732cdd3b 100644 --- a/src/gmxlib/disre.c +++ b/src/gmxlib/disre.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/dlb.h b/src/gmxlib/dlb.h index 3780c9487c..dd21824c52 100644 --- a/src/gmxlib/dlb.h +++ b/src/gmxlib/dlb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _dlb_h diff --git a/src/gmxlib/do_fit.c b/src/gmxlib/do_fit.c index bea7e005df..31295fe69f 100644 --- a/src/gmxlib/do_fit.c +++ b/src/gmxlib/do_fit.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/enxio.c b/src/gmxlib/enxio.c index d9b1d7bd25..bb37e3ac82 100644 --- a/src/gmxlib/enxio.c +++ b/src/gmxlib/enxio.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/ewald_util.c b/src/gmxlib/ewald_util.c index b88d86adcf..246c046a30 100644 --- a/src/gmxlib/ewald_util.c +++ b/src/gmxlib/ewald_util.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/ffscanf.c b/src/gmxlib/ffscanf.c index 92480f985a..f4ca779013 100644 --- a/src/gmxlib/ffscanf.c +++ b/src/gmxlib/ffscanf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/filenm.c b/src/gmxlib/filenm.c index d42f37e11c..08166cf881 100644 --- a/src/gmxlib/filenm.c +++ b/src/gmxlib/filenm.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/futil.c b/src/gmxlib/futil.c index ee4d0eccfe..31f3c841e1 100644 --- a/src/gmxlib/futil.c +++ b/src/gmxlib/futil.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gbutil.c b/src/gmxlib/gbutil.c index bf3f5ada76..43b9fcb76d 100644 --- a/src/gmxlib/gbutil.c +++ b/src/gmxlib/gbutil.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/gmx_arpack.c b/src/gmxlib/gmx_arpack.c index 3a4e449119..bc260bf685 100644 --- a/src/gmxlib/gmx_arpack.c +++ b/src/gmxlib/gmx_arpack.c @@ -1,10 +1,40 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: m; c-basic-offset: 4 -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2004 * David van der Spoel, Erik Lindahl, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This file contains a subset of ARPACK functions to perform + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* This file contains a subset of ARPACK functions to perform * diagonalization and SVD for sparse matrices in Gromacs. * * The code has been translated to C to avoid being dependent on diff --git a/src/gmxlib/gmx_blas/dasum.c b/src/gmxlib/gmx_blas/dasum.c index f8d1437238..54c793c087 100644 --- a/src/gmxlib/gmx_blas/dasum.c +++ b/src/gmxlib/gmx_blas/dasum.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_blas/daxpy.c b/src/gmxlib/gmx_blas/daxpy.c index 74f227e0f9..2199b214c2 100644 --- a/src/gmxlib/gmx_blas/daxpy.c +++ b/src/gmxlib/gmx_blas/daxpy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_blas/dcopy.c b/src/gmxlib/gmx_blas/dcopy.c index 784a6e0f4e..8d291222c4 100644 --- a/src/gmxlib/gmx_blas/dcopy.c +++ b/src/gmxlib/gmx_blas/dcopy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/ddot.c b/src/gmxlib/gmx_blas/ddot.c index b6eb3d1059..f47ae5f6c1 100644 --- a/src/gmxlib/gmx_blas/ddot.c +++ b/src/gmxlib/gmx_blas/ddot.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" double diff --git a/src/gmxlib/gmx_blas/dgemm.c b/src/gmxlib/gmx_blas/dgemm.c index a7817062d3..d75116a6d3 100644 --- a/src/gmxlib/gmx_blas/dgemm.c +++ b/src/gmxlib/gmx_blas/dgemm.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dgemv.c b/src/gmxlib/gmx_blas/dgemv.c index 6411b7a72c..be5c604bb4 100644 --- a/src/gmxlib/gmx_blas/dgemv.c +++ b/src/gmxlib/gmx_blas/dgemv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dger.c b/src/gmxlib/gmx_blas/dger.c index 3a99137a4c..6dc7393dc8 100644 --- a/src/gmxlib/gmx_blas/dger.c +++ b/src/gmxlib/gmx_blas/dger.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dnrm2.c b/src/gmxlib/gmx_blas/dnrm2.c index bae495b53f..2ab7d88c5f 100644 --- a/src/gmxlib/gmx_blas/dnrm2.c +++ b/src/gmxlib/gmx_blas/dnrm2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/drot.c b/src/gmxlib/gmx_blas/drot.c index 0fc86a427c..46a06077b7 100644 --- a/src/gmxlib/gmx_blas/drot.c +++ b/src/gmxlib/gmx_blas/drot.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/dscal.c b/src/gmxlib/gmx_blas/dscal.c index d909c714b8..3bef20d3e7 100644 --- a/src/gmxlib/gmx_blas/dscal.c +++ b/src/gmxlib/gmx_blas/dscal.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/dswap.c b/src/gmxlib/gmx_blas/dswap.c index c368d68158..6c546e7cc6 100644 --- a/src/gmxlib/gmx_blas/dswap.c +++ b/src/gmxlib/gmx_blas/dswap.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/dsymv.c b/src/gmxlib/gmx_blas/dsymv.c index dc61674baf..402720f2bf 100644 --- a/src/gmxlib/gmx_blas/dsymv.c +++ b/src/gmxlib/gmx_blas/dsymv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dsyr2.c b/src/gmxlib/gmx_blas/dsyr2.c index a1958ee633..bd88e7020f 100644 --- a/src/gmxlib/gmx_blas/dsyr2.c +++ b/src/gmxlib/gmx_blas/dsyr2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dsyr2k.c b/src/gmxlib/gmx_blas/dsyr2k.c index 729744e587..e3bf30522c 100644 --- a/src/gmxlib/gmx_blas/dsyr2k.c +++ b/src/gmxlib/gmx_blas/dsyr2k.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dtrmm.c b/src/gmxlib/gmx_blas/dtrmm.c index c5698f77cf..07e44634f6 100644 --- a/src/gmxlib/gmx_blas/dtrmm.c +++ b/src/gmxlib/gmx_blas/dtrmm.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dtrmv.c b/src/gmxlib/gmx_blas/dtrmv.c index 5462cff03b..f30b365c7c 100644 --- a/src/gmxlib/gmx_blas/dtrmv.c +++ b/src/gmxlib/gmx_blas/dtrmv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/dtrsm.c b/src/gmxlib/gmx_blas/dtrsm.c index 44e45a1429..eb14cfcb87 100644 --- a/src/gmxlib/gmx_blas/dtrsm.c +++ b/src/gmxlib/gmx_blas/dtrsm.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/idamax.c b/src/gmxlib/gmx_blas/idamax.c index a68b6a47b6..56fa241110 100644 --- a/src/gmxlib/gmx_blas/idamax.c +++ b/src/gmxlib/gmx_blas/idamax.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_blas/isamax.c b/src/gmxlib/gmx_blas/isamax.c index 9f60db479c..e000236643 100644 --- a/src/gmxlib/gmx_blas/isamax.c +++ b/src/gmxlib/gmx_blas/isamax.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_blas/sasum.c b/src/gmxlib/gmx_blas/sasum.c index ca91701146..0fa323eaf2 100644 --- a/src/gmxlib/gmx_blas/sasum.c +++ b/src/gmxlib/gmx_blas/sasum.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_blas/saxpy.c b/src/gmxlib/gmx_blas/saxpy.c index 71ea8a2b34..d720ac1523 100644 --- a/src/gmxlib/gmx_blas/saxpy.c +++ b/src/gmxlib/gmx_blas/saxpy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_blas/scopy.c b/src/gmxlib/gmx_blas/scopy.c index dc76b25494..8889851cfa 100644 --- a/src/gmxlib/gmx_blas/scopy.c +++ b/src/gmxlib/gmx_blas/scopy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/sdot.c b/src/gmxlib/gmx_blas/sdot.c index 5c5e1a1c45..bcd5051e66 100644 --- a/src/gmxlib/gmx_blas/sdot.c +++ b/src/gmxlib/gmx_blas/sdot.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_blas/sgemm.c b/src/gmxlib/gmx_blas/sgemm.c index efec1d967b..8cea0899f9 100644 --- a/src/gmxlib/gmx_blas/sgemm.c +++ b/src/gmxlib/gmx_blas/sgemm.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/sgemv.c b/src/gmxlib/gmx_blas/sgemv.c index 71c2fe2ae6..f3245b925b 100644 --- a/src/gmxlib/gmx_blas/sgemv.c +++ b/src/gmxlib/gmx_blas/sgemv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/sger.c b/src/gmxlib/gmx_blas/sger.c index dafa8bb9c0..93691ada5b 100644 --- a/src/gmxlib/gmx_blas/sger.c +++ b/src/gmxlib/gmx_blas/sger.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/snrm2.c b/src/gmxlib/gmx_blas/snrm2.c index db2ef2d076..369687cd72 100644 --- a/src/gmxlib/gmx_blas/snrm2.c +++ b/src/gmxlib/gmx_blas/snrm2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include diff --git a/src/gmxlib/gmx_blas/srot.c b/src/gmxlib/gmx_blas/srot.c index ae173420ba..c1c68badc7 100644 --- a/src/gmxlib/gmx_blas/srot.c +++ b/src/gmxlib/gmx_blas/srot.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/sscal.c b/src/gmxlib/gmx_blas/sscal.c index 6c85a0114c..b339066dc6 100644 --- a/src/gmxlib/gmx_blas/sscal.c +++ b/src/gmxlib/gmx_blas/sscal.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/sswap.c b/src/gmxlib/gmx_blas/sswap.c index af5e21ef7c..9dfba2f443 100644 --- a/src/gmxlib/gmx_blas/sswap.c +++ b/src/gmxlib/gmx_blas/sswap.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" void diff --git a/src/gmxlib/gmx_blas/ssymv.c b/src/gmxlib/gmx_blas/ssymv.c index c69fa433b8..c0d6dcc54f 100644 --- a/src/gmxlib/gmx_blas/ssymv.c +++ b/src/gmxlib/gmx_blas/ssymv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/ssyr2.c b/src/gmxlib/gmx_blas/ssyr2.c index 34db6bce4c..5af43274b9 100644 --- a/src/gmxlib/gmx_blas/ssyr2.c +++ b/src/gmxlib/gmx_blas/ssyr2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/ssyr2k.c b/src/gmxlib/gmx_blas/ssyr2k.c index a707f6b547..fb8ff90266 100644 --- a/src/gmxlib/gmx_blas/ssyr2k.c +++ b/src/gmxlib/gmx_blas/ssyr2k.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/strmm.c b/src/gmxlib/gmx_blas/strmm.c index c0469a06a7..27ac794e48 100644 --- a/src/gmxlib/gmx_blas/strmm.c +++ b/src/gmxlib/gmx_blas/strmm.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/strmv.c b/src/gmxlib/gmx_blas/strmv.c index 9418b8d1e1..0daae5d0c5 100644 --- a/src/gmxlib/gmx_blas/strmv.c +++ b/src/gmxlib/gmx_blas/strmv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_blas/strsm.c b/src/gmxlib/gmx_blas/strsm.c index 9e01a6724c..b745f2078c 100644 --- a/src/gmxlib/gmx_blas/strsm.c +++ b/src/gmxlib/gmx_blas/strsm.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_cpuid.c b/src/gmxlib/gmx_cpuid.c index 71bf75ac7e..4304807723 100644 --- a/src/gmxlib/gmx_cpuid.c +++ b/src/gmxlib/gmx_cpuid.c @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmx_cyclecounter.c b/src/gmxlib/gmx_cyclecounter.c index a1f9b4755e..5d0f318cde 100644 --- a/src/gmxlib/gmx_cyclecounter.c +++ b/src/gmxlib/gmx_cyclecounter.c @@ -1,19 +1,38 @@ - /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- + /* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2006 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmx_detect_hardware.c b/src/gmxlib/gmx_detect_hardware.c index 655169cfa5..c9f5fc97aa 100644 --- a/src/gmxlib/gmx_detect_hardware.c +++ b/src/gmxlib/gmx_detect_hardware.c @@ -1,22 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * GROup of MAchos and Cynical Suckers + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmx_fatal.c b/src/gmxlib/gmx_fatal.c index 42da0dc937..dc9fcb00bd 100644 --- a/src/gmxlib/gmx_fatal.c +++ b/src/gmxlib/gmx_fatal.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmx_lapack/dbdsdc.c b/src/gmxlib/gmx_lapack/dbdsdc.c index 0687dba80d..b42134e1fa 100644 --- a/src/gmxlib/gmx_lapack/dbdsdc.c +++ b/src/gmxlib/gmx_lapack/dbdsdc.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/dbdsqr.c b/src/gmxlib/gmx_lapack/dbdsqr.c index de6ddfd318..b9b49a560c 100644 --- a/src/gmxlib/gmx_lapack/dbdsqr.c +++ b/src/gmxlib/gmx_lapack/dbdsqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dgebd2.c b/src/gmxlib/gmx_lapack/dgebd2.c index 7f9722cce8..01c60654e2 100644 --- a/src/gmxlib/gmx_lapack/dgebd2.c +++ b/src/gmxlib/gmx_lapack/dgebd2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/dgebrd.c b/src/gmxlib/gmx_lapack/dgebrd.c index 010bf68638..bf187e123e 100644 --- a/src/gmxlib/gmx_lapack/dgebrd.c +++ b/src/gmxlib/gmx_lapack/dgebrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "gmx_blas.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dgelq2.c b/src/gmxlib/gmx_lapack/dgelq2.c index 6c2c6a7e27..7546eef977 100644 --- a/src/gmxlib/gmx_lapack/dgelq2.c +++ b/src/gmxlib/gmx_lapack/dgelq2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/dgelqf.c b/src/gmxlib/gmx_lapack/dgelqf.c index 2efb867d33..af327a0d18 100644 --- a/src/gmxlib/gmx_lapack/dgelqf.c +++ b/src/gmxlib/gmx_lapack/dgelqf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dgeqr2.c b/src/gmxlib/gmx_lapack/dgeqr2.c index 84adb4d4e9..b8f432179a 100644 --- a/src/gmxlib/gmx_lapack/dgeqr2.c +++ b/src/gmxlib/gmx_lapack/dgeqr2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dgeqrf.c b/src/gmxlib/gmx_lapack/dgeqrf.c index b47b75e02a..73b5b4acb5 100644 --- a/src/gmxlib/gmx_lapack/dgeqrf.c +++ b/src/gmxlib/gmx_lapack/dgeqrf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dgesdd.c b/src/gmxlib/gmx_lapack/dgesdd.c index 6a52fbc688..f850d3a2b5 100644 --- a/src/gmxlib/gmx_lapack/dgesdd.c +++ b/src/gmxlib/gmx_lapack/dgesdd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dgetf2.c b/src/gmxlib/gmx_lapack/dgetf2.c index e6cfde8877..7133bde1a4 100644 --- a/src/gmxlib/gmx_lapack/dgetf2.c +++ b/src/gmxlib/gmx_lapack/dgetf2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dgetrf.c b/src/gmxlib/gmx_lapack/dgetrf.c index 8119ecb91f..a255bfc376 100644 --- a/src/gmxlib/gmx_lapack/dgetrf.c +++ b/src/gmxlib/gmx_lapack/dgetrf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dgetri.c b/src/gmxlib/gmx_lapack/dgetri.c index ddccbf7255..5cbfd7cca7 100644 --- a/src/gmxlib/gmx_lapack/dgetri.c +++ b/src/gmxlib/gmx_lapack/dgetri.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dgetrs.c b/src/gmxlib/gmx_lapack/dgetrs.c index 75421efe27..3f4c57ef13 100644 --- a/src/gmxlib/gmx_lapack/dgetrs.c +++ b/src/gmxlib/gmx_lapack/dgetrs.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlabrd.c b/src/gmxlib/gmx_lapack/dlabrd.c index 452f0ec7ca..18eaa34042 100644 --- a/src/gmxlib/gmx_lapack/dlabrd.c +++ b/src/gmxlib/gmx_lapack/dlabrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlacpy.c b/src/gmxlib/gmx_lapack/dlacpy.c index 31e9132bb8..0778af6065 100644 --- a/src/gmxlib/gmx_lapack/dlacpy.c +++ b/src/gmxlib/gmx_lapack/dlacpy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlae2.c b/src/gmxlib/gmx_lapack/dlae2.c index c1bb09b076..a402877f74 100644 --- a/src/gmxlib/gmx_lapack/dlae2.c +++ b/src/gmxlib/gmx_lapack/dlae2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlaebz.c b/src/gmxlib/gmx_lapack/dlaebz.c index fecfa6dd89..22c0260668 100644 --- a/src/gmxlib/gmx_lapack/dlaebz.c +++ b/src/gmxlib/gmx_lapack/dlaebz.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlaed6.c b/src/gmxlib/gmx_lapack/dlaed6.c index fcadb2c5b5..80c2219e15 100644 --- a/src/gmxlib/gmx_lapack/dlaed6.c +++ b/src/gmxlib/gmx_lapack/dlaed6.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlaev2.c b/src/gmxlib/gmx_lapack/dlaev2.c index 63fe3c9f19..bcd118ab08 100644 --- a/src/gmxlib/gmx_lapack/dlaev2.c +++ b/src/gmxlib/gmx_lapack/dlaev2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlagtf.c b/src/gmxlib/gmx_lapack/dlagtf.c index 300104d9f9..529ba4b263 100644 --- a/src/gmxlib/gmx_lapack/dlagtf.c +++ b/src/gmxlib/gmx_lapack/dlagtf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlagts.c b/src/gmxlib/gmx_lapack/dlagts.c index fda0faee8f..6a0503bca0 100644 --- a/src/gmxlib/gmx_lapack/dlagts.c +++ b/src/gmxlib/gmx_lapack/dlagts.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlamrg.c b/src/gmxlib/gmx_lapack/dlamrg.c index c3cbf7747b..b7c855bffc 100644 --- a/src/gmxlib/gmx_lapack/dlamrg.c +++ b/src/gmxlib/gmx_lapack/dlamrg.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlange.c b/src/gmxlib/gmx_lapack/dlange.c index 021d8b11a6..915688f204 100644 --- a/src/gmxlib/gmx_lapack/dlange.c +++ b/src/gmxlib/gmx_lapack/dlange.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlanst.c b/src/gmxlib/gmx_lapack/dlanst.c index 2b25d6e4f8..8bea6b068d 100644 --- a/src/gmxlib/gmx_lapack/dlanst.c +++ b/src/gmxlib/gmx_lapack/dlanst.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlansy.c b/src/gmxlib/gmx_lapack/dlansy.c index a1e87c9e25..f136acf4e9 100644 --- a/src/gmxlib/gmx_lapack/dlansy.c +++ b/src/gmxlib/gmx_lapack/dlansy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include diff --git a/src/gmxlib/gmx_lapack/dlapy2.c b/src/gmxlib/gmx_lapack/dlapy2.c index 9f92a75deb..e1d850d47e 100644 --- a/src/gmxlib/gmx_lapack/dlapy2.c +++ b/src/gmxlib/gmx_lapack/dlapy2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlar1vx.c b/src/gmxlib/gmx_lapack/dlar1vx.c index ac3a403f83..974a95b87b 100644 --- a/src/gmxlib/gmx_lapack/dlar1vx.c +++ b/src/gmxlib/gmx_lapack/dlar1vx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlarf.c b/src/gmxlib/gmx_lapack/dlarf.c index 88ea59667e..b8638025ef 100644 --- a/src/gmxlib/gmx_lapack/dlarf.c +++ b/src/gmxlib/gmx_lapack/dlarf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlarfb.c b/src/gmxlib/gmx_lapack/dlarfb.c index cbe9db459f..d4c8f0069b 100644 --- a/src/gmxlib/gmx_lapack/dlarfb.c +++ b/src/gmxlib/gmx_lapack/dlarfb.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlarfg.c b/src/gmxlib/gmx_lapack/dlarfg.c index 5f8452d1fe..4a0c592a5c 100644 --- a/src/gmxlib/gmx_lapack/dlarfg.c +++ b/src/gmxlib/gmx_lapack/dlarfg.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlarft.c b/src/gmxlib/gmx_lapack/dlarft.c index 3de5ef2818..13b6e9a0b3 100644 --- a/src/gmxlib/gmx_lapack/dlarft.c +++ b/src/gmxlib/gmx_lapack/dlarft.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlarnv.c b/src/gmxlib/gmx_lapack/dlarnv.c index ec98e31681..0a48c382db 100644 --- a/src/gmxlib/gmx_lapack/dlarnv.c +++ b/src/gmxlib/gmx_lapack/dlarnv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlarrbx.c b/src/gmxlib/gmx_lapack/dlarrbx.c index 518ab911b9..2fdf90c06c 100644 --- a/src/gmxlib/gmx_lapack/dlarrbx.c +++ b/src/gmxlib/gmx_lapack/dlarrbx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlarrex.c b/src/gmxlib/gmx_lapack/dlarrex.c index 0d2b466468..1efbd6592d 100644 --- a/src/gmxlib/gmx_lapack/dlarrex.c +++ b/src/gmxlib/gmx_lapack/dlarrex.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlarrfx.c b/src/gmxlib/gmx_lapack/dlarrfx.c index 65e6fcc27a..9013e498db 100644 --- a/src/gmxlib/gmx_lapack/dlarrfx.c +++ b/src/gmxlib/gmx_lapack/dlarrfx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlarrvx.c b/src/gmxlib/gmx_lapack/dlarrvx.c index a33f1bd7c4..cc64429923 100644 --- a/src/gmxlib/gmx_lapack/dlarrvx.c +++ b/src/gmxlib/gmx_lapack/dlarrvx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlartg.c b/src/gmxlib/gmx_lapack/dlartg.c index 34c65375f3..dacdadf61c 100644 --- a/src/gmxlib/gmx_lapack/dlartg.c +++ b/src/gmxlib/gmx_lapack/dlartg.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dlaruv.c b/src/gmxlib/gmx_lapack/dlaruv.c index 90125d7f83..65d13caea7 100644 --- a/src/gmxlib/gmx_lapack/dlaruv.c +++ b/src/gmxlib/gmx_lapack/dlaruv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlas2.c b/src/gmxlib/gmx_lapack/dlas2.c index e1c64a04b3..aff6c78949 100644 --- a/src/gmxlib/gmx_lapack/dlas2.c +++ b/src/gmxlib/gmx_lapack/dlas2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlascl.c b/src/gmxlib/gmx_lapack/dlascl.c index 952099cf17..5905cfd238 100644 --- a/src/gmxlib/gmx_lapack/dlascl.c +++ b/src/gmxlib/gmx_lapack/dlascl.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include diff --git a/src/gmxlib/gmx_lapack/dlasd0.c b/src/gmxlib/gmx_lapack/dlasd0.c index de72ad7b48..eed4d823a5 100644 --- a/src/gmxlib/gmx_lapack/dlasd0.c +++ b/src/gmxlib/gmx_lapack/dlasd0.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/dlasd1.c b/src/gmxlib/gmx_lapack/dlasd1.c index 6eb0ebe44d..bb204cd687 100644 --- a/src/gmxlib/gmx_lapack/dlasd1.c +++ b/src/gmxlib/gmx_lapack/dlasd1.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasd2.c b/src/gmxlib/gmx_lapack/dlasd2.c index bfa2e9c027..5b6b5e0031 100644 --- a/src/gmxlib/gmx_lapack/dlasd2.c +++ b/src/gmxlib/gmx_lapack/dlasd2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasd3.c b/src/gmxlib/gmx_lapack/dlasd3.c index fa53f92975..a91ee30569 100644 --- a/src/gmxlib/gmx_lapack/dlasd3.c +++ b/src/gmxlib/gmx_lapack/dlasd3.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasd4.c b/src/gmxlib/gmx_lapack/dlasd4.c index bc1435a3a0..d4f6271fa6 100644 --- a/src/gmxlib/gmx_lapack/dlasd4.c +++ b/src/gmxlib/gmx_lapack/dlasd4.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dlasd5.c b/src/gmxlib/gmx_lapack/dlasd5.c index fd3ad9f905..4f49adfe4e 100644 --- a/src/gmxlib/gmx_lapack/dlasd5.c +++ b/src/gmxlib/gmx_lapack/dlasd5.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasd6.c b/src/gmxlib/gmx_lapack/dlasd6.c index 257a4c481c..7400986f03 100644 --- a/src/gmxlib/gmx_lapack/dlasd6.c +++ b/src/gmxlib/gmx_lapack/dlasd6.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasd7.c b/src/gmxlib/gmx_lapack/dlasd7.c index ff6c1f5235..65b57040aa 100644 --- a/src/gmxlib/gmx_lapack/dlasd7.c +++ b/src/gmxlib/gmx_lapack/dlasd7.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlasd8.c b/src/gmxlib/gmx_lapack/dlasd8.c index 72272d3f0a..0f6a470ac3 100644 --- a/src/gmxlib/gmx_lapack/dlasd8.c +++ b/src/gmxlib/gmx_lapack/dlasd8.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasda.c b/src/gmxlib/gmx_lapack/dlasda.c index 2abdef3f1f..fde72edb6a 100644 --- a/src/gmxlib/gmx_lapack/dlasda.c +++ b/src/gmxlib/gmx_lapack/dlasda.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasdq.c b/src/gmxlib/gmx_lapack/dlasdq.c index 6d241f91f5..333b9077f6 100644 --- a/src/gmxlib/gmx_lapack/dlasdq.c +++ b/src/gmxlib/gmx_lapack/dlasdq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/dlasdt.c b/src/gmxlib/gmx_lapack/dlasdt.c index 91f3a38ca3..572841e196 100644 --- a/src/gmxlib/gmx_lapack/dlasdt.c +++ b/src/gmxlib/gmx_lapack/dlasdt.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlaset.c b/src/gmxlib/gmx_lapack/dlaset.c index 4c269b15b3..fac734cd76 100644 --- a/src/gmxlib/gmx_lapack/dlaset.c +++ b/src/gmxlib/gmx_lapack/dlaset.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasq1.c b/src/gmxlib/gmx_lapack/dlasq1.c index e729daf53c..0374eb2660 100644 --- a/src/gmxlib/gmx_lapack/dlasq1.c +++ b/src/gmxlib/gmx_lapack/dlasq1.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasq2.c b/src/gmxlib/gmx_lapack/dlasq2.c index e45a93b67a..4c9744ff32 100644 --- a/src/gmxlib/gmx_lapack/dlasq2.c +++ b/src/gmxlib/gmx_lapack/dlasq2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dlasq3.c b/src/gmxlib/gmx_lapack/dlasq3.c index 5a02fa659e..764577a2ef 100644 --- a/src/gmxlib/gmx_lapack/dlasq3.c +++ b/src/gmxlib/gmx_lapack/dlasq3.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlasq4.c b/src/gmxlib/gmx_lapack/dlasq4.c index 35438edbde..d9ddd2595b 100644 --- a/src/gmxlib/gmx_lapack/dlasq4.c +++ b/src/gmxlib/gmx_lapack/dlasq4.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlasq5.c b/src/gmxlib/gmx_lapack/dlasq5.c index e09272c36e..fc90dc531f 100644 --- a/src/gmxlib/gmx_lapack/dlasq5.c +++ b/src/gmxlib/gmx_lapack/dlasq5.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasq6.c b/src/gmxlib/gmx_lapack/dlasq6.c index 3ce6ceb0bb..99ee98a073 100644 --- a/src/gmxlib/gmx_lapack/dlasq6.c +++ b/src/gmxlib/gmx_lapack/dlasq6.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dlasr.c b/src/gmxlib/gmx_lapack/dlasr.c index 1077e80ce2..ed72356f22 100644 --- a/src/gmxlib/gmx_lapack/dlasr.c +++ b/src/gmxlib/gmx_lapack/dlasr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dlasrt.c b/src/gmxlib/gmx_lapack/dlasrt.c index 74179bd7e2..aaa88d0956 100644 --- a/src/gmxlib/gmx_lapack/dlasrt.c +++ b/src/gmxlib/gmx_lapack/dlasrt.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/dlasrt2.c b/src/gmxlib/gmx_lapack/dlasrt2.c index 5ce95f8974..ab476b91e3 100644 --- a/src/gmxlib/gmx_lapack/dlasrt2.c +++ b/src/gmxlib/gmx_lapack/dlasrt2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void F77_FUNC(dlasrt2,DLASRT2)(const char *id, diff --git a/src/gmxlib/gmx_lapack/dlassq.c b/src/gmxlib/gmx_lapack/dlassq.c index 5f548545c4..d3802cc912 100644 --- a/src/gmxlib/gmx_lapack/dlassq.c +++ b/src/gmxlib/gmx_lapack/dlassq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dlasv2.c b/src/gmxlib/gmx_lapack/dlasv2.c index 10902a230b..c541d9adb2 100644 --- a/src/gmxlib/gmx_lapack/dlasv2.c +++ b/src/gmxlib/gmx_lapack/dlasv2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dlaswp.c b/src/gmxlib/gmx_lapack/dlaswp.c index 1c3c329ce4..53f45ec145 100644 --- a/src/gmxlib/gmx_lapack/dlaswp.c +++ b/src/gmxlib/gmx_lapack/dlaswp.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" /* LAPACK */ diff --git a/src/gmxlib/gmx_lapack/dlatrd.c b/src/gmxlib/gmx_lapack/dlatrd.c index 682952cbc3..1beef149b4 100644 --- a/src/gmxlib/gmx_lapack/dlatrd.c +++ b/src/gmxlib/gmx_lapack/dlatrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dorg2r.c b/src/gmxlib/gmx_lapack/dorg2r.c index 06606ed09c..60da2012f7 100644 --- a/src/gmxlib/gmx_lapack/dorg2r.c +++ b/src/gmxlib/gmx_lapack/dorg2r.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/dorgbr.c b/src/gmxlib/gmx_lapack/dorgbr.c index 7dbb8a9c5b..4b531b1662 100644 --- a/src/gmxlib/gmx_lapack/dorgbr.c +++ b/src/gmxlib/gmx_lapack/dorgbr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dorgl2.c b/src/gmxlib/gmx_lapack/dorgl2.c index 764c9f88ef..e772036584 100644 --- a/src/gmxlib/gmx_lapack/dorgl2.c +++ b/src/gmxlib/gmx_lapack/dorgl2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dorglq.c b/src/gmxlib/gmx_lapack/dorglq.c index b02e1edffb..8249c16a7c 100644 --- a/src/gmxlib/gmx_lapack/dorglq.c +++ b/src/gmxlib/gmx_lapack/dorglq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #define DORGLQ_BLOCKSIZE 32 diff --git a/src/gmxlib/gmx_lapack/dorgqr.c b/src/gmxlib/gmx_lapack/dorgqr.c index 56a61afa26..68a96571f7 100644 --- a/src/gmxlib/gmx_lapack/dorgqr.c +++ b/src/gmxlib/gmx_lapack/dorgqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dorm2l.c b/src/gmxlib/gmx_lapack/dorm2l.c index 3409458b55..8b609d98d0 100644 --- a/src/gmxlib/gmx_lapack/dorm2l.c +++ b/src/gmxlib/gmx_lapack/dorm2l.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/dorm2r.c b/src/gmxlib/gmx_lapack/dorm2r.c index 2cffa31bbc..7906744db3 100644 --- a/src/gmxlib/gmx_lapack/dorm2r.c +++ b/src/gmxlib/gmx_lapack/dorm2r.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/dormbr.c b/src/gmxlib/gmx_lapack/dormbr.c index 2825515450..9dfd42ca9c 100644 --- a/src/gmxlib/gmx_lapack/dormbr.c +++ b/src/gmxlib/gmx_lapack/dormbr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dorml2.c b/src/gmxlib/gmx_lapack/dorml2.c index 8b4efbd137..b8dc939cf4 100644 --- a/src/gmxlib/gmx_lapack/dorml2.c +++ b/src/gmxlib/gmx_lapack/dorml2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dormlq.c b/src/gmxlib/gmx_lapack/dormlq.c index 13b4616a6f..eb11a0a4f7 100644 --- a/src/gmxlib/gmx_lapack/dormlq.c +++ b/src/gmxlib/gmx_lapack/dormlq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dormql.c b/src/gmxlib/gmx_lapack/dormql.c index 003131628b..f4a9130bac 100644 --- a/src/gmxlib/gmx_lapack/dormql.c +++ b/src/gmxlib/gmx_lapack/dormql.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dormqr.c b/src/gmxlib/gmx_lapack/dormqr.c index f56ee8bbb4..a2f3402e54 100644 --- a/src/gmxlib/gmx_lapack/dormqr.c +++ b/src/gmxlib/gmx_lapack/dormqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dormtr.c b/src/gmxlib/gmx_lapack/dormtr.c index b137f92671..da510e53f9 100644 --- a/src/gmxlib/gmx_lapack/dormtr.c +++ b/src/gmxlib/gmx_lapack/dormtr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dstebz.c b/src/gmxlib/gmx_lapack/dstebz.c index dffdc1a7d2..89eb9dc77a 100644 --- a/src/gmxlib/gmx_lapack/dstebz.c +++ b/src/gmxlib/gmx_lapack/dstebz.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dstegr.c b/src/gmxlib/gmx_lapack/dstegr.c index 60c27b7143..1b3c28b056 100644 --- a/src/gmxlib/gmx_lapack/dstegr.c +++ b/src/gmxlib/gmx_lapack/dstegr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dstein.c b/src/gmxlib/gmx_lapack/dstein.c index dff5a0ac1f..8a83149d0d 100644 --- a/src/gmxlib/gmx_lapack/dstein.c +++ b/src/gmxlib/gmx_lapack/dstein.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dsteqr.c b/src/gmxlib/gmx_lapack/dsteqr.c index 6f9c5cb13f..bdd543aefd 100644 --- a/src/gmxlib/gmx_lapack/dsteqr.c +++ b/src/gmxlib/gmx_lapack/dsteqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dsterf.c b/src/gmxlib/gmx_lapack/dsterf.c index 08908380d6..739cc073cc 100644 --- a/src/gmxlib/gmx_lapack/dsterf.c +++ b/src/gmxlib/gmx_lapack/dsterf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dstevr.c b/src/gmxlib/gmx_lapack/dstevr.c index 109aee23b4..3814d83676 100644 --- a/src/gmxlib/gmx_lapack/dstevr.c +++ b/src/gmxlib/gmx_lapack/dstevr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/dsyevr.c b/src/gmxlib/gmx_lapack/dsyevr.c index 67363752d4..d38525094d 100644 --- a/src/gmxlib/gmx_lapack/dsyevr.c +++ b/src/gmxlib/gmx_lapack/dsyevr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/dsytd2.c b/src/gmxlib/gmx_lapack/dsytd2.c index 05c8a9cbfa..8ee85023a4 100644 --- a/src/gmxlib/gmx_lapack/dsytd2.c +++ b/src/gmxlib/gmx_lapack/dsytd2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/dsytrd.c b/src/gmxlib/gmx_lapack/dsytrd.c index 5aa23d8099..31fbfb0c46 100644 --- a/src/gmxlib/gmx_lapack/dsytrd.c +++ b/src/gmxlib/gmx_lapack/dsytrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dtrti2.c b/src/gmxlib/gmx_lapack/dtrti2.c index 17b76885ea..96e69cef3c 100644 --- a/src/gmxlib/gmx_lapack/dtrti2.c +++ b/src/gmxlib/gmx_lapack/dtrti2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/dtrtri.c b/src/gmxlib/gmx_lapack/dtrtri.c index 64d583f6a0..5601fbe492 100644 --- a/src/gmxlib/gmx_lapack/dtrtri.c +++ b/src/gmxlib/gmx_lapack/dtrtri.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/ilasrt2.c b/src/gmxlib/gmx_lapack/ilasrt2.c index b290835fbe..f7e552dbd6 100644 --- a/src/gmxlib/gmx_lapack/ilasrt2.c +++ b/src/gmxlib/gmx_lapack/ilasrt2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/lapack_limits.h b/src/gmxlib/gmx_lapack/lapack_limits.h index 5e34a243a6..1cde6472ec 100644 --- a/src/gmxlib/gmx_lapack/lapack_limits.h +++ b/src/gmxlib/gmx_lapack/lapack_limits.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #ifndef _LAPACK_LIMITS_H_ #define _LAPACK_LIMITS_H_ diff --git a/src/gmxlib/gmx_lapack/sbdsdc.c b/src/gmxlib/gmx_lapack/sbdsdc.c index 8650788ee3..469b6203ff 100644 --- a/src/gmxlib/gmx_lapack/sbdsdc.c +++ b/src/gmxlib/gmx_lapack/sbdsdc.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/sbdsqr.c b/src/gmxlib/gmx_lapack/sbdsqr.c index a9cb64b082..08eb5de62b 100644 --- a/src/gmxlib/gmx_lapack/sbdsqr.c +++ b/src/gmxlib/gmx_lapack/sbdsqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/sgebd2.c b/src/gmxlib/gmx_lapack/sgebd2.c index 237aac6bca..da099c0546 100644 --- a/src/gmxlib/gmx_lapack/sgebd2.c +++ b/src/gmxlib/gmx_lapack/sgebd2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/sgebrd.c b/src/gmxlib/gmx_lapack/sgebrd.c index b2eb174b5b..704e4f62b3 100644 --- a/src/gmxlib/gmx_lapack/sgebrd.c +++ b/src/gmxlib/gmx_lapack/sgebrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "gmx_blas.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sgelq2.c b/src/gmxlib/gmx_lapack/sgelq2.c index 79fc8ac16d..ad30ab0643 100644 --- a/src/gmxlib/gmx_lapack/sgelq2.c +++ b/src/gmxlib/gmx_lapack/sgelq2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/sgelqf.c b/src/gmxlib/gmx_lapack/sgelqf.c index b5d5c8a157..578f98db77 100644 --- a/src/gmxlib/gmx_lapack/sgelqf.c +++ b/src/gmxlib/gmx_lapack/sgelqf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sgeqr2.c b/src/gmxlib/gmx_lapack/sgeqr2.c index c8f201d48b..b85168063e 100644 --- a/src/gmxlib/gmx_lapack/sgeqr2.c +++ b/src/gmxlib/gmx_lapack/sgeqr2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/sgeqrf.c b/src/gmxlib/gmx_lapack/sgeqrf.c index d674e5c4c1..ed5ca23d11 100644 --- a/src/gmxlib/gmx_lapack/sgeqrf.c +++ b/src/gmxlib/gmx_lapack/sgeqrf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sgesdd.c b/src/gmxlib/gmx_lapack/sgesdd.c index ec80af1a57..95d528aa7c 100644 --- a/src/gmxlib/gmx_lapack/sgesdd.c +++ b/src/gmxlib/gmx_lapack/sgesdd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/sgetf2.c b/src/gmxlib/gmx_lapack/sgetf2.c index 39374a9d3b..062dd1f60e 100644 --- a/src/gmxlib/gmx_lapack/sgetf2.c +++ b/src/gmxlib/gmx_lapack/sgetf2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/sgetrf.c b/src/gmxlib/gmx_lapack/sgetrf.c index c6c8a5423d..3f5e219d8f 100644 --- a/src/gmxlib/gmx_lapack/sgetrf.c +++ b/src/gmxlib/gmx_lapack/sgetrf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sgetri.c b/src/gmxlib/gmx_lapack/sgetri.c index 851a8b376e..e17c840d8a 100644 --- a/src/gmxlib/gmx_lapack/sgetri.c +++ b/src/gmxlib/gmx_lapack/sgetri.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sgetrs.c b/src/gmxlib/gmx_lapack/sgetrs.c index 5801551bf9..831eaaa299 100644 --- a/src/gmxlib/gmx_lapack/sgetrs.c +++ b/src/gmxlib/gmx_lapack/sgetrs.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slabrd.c b/src/gmxlib/gmx_lapack/slabrd.c index ff07fd1675..e4282ad74c 100644 --- a/src/gmxlib/gmx_lapack/slabrd.c +++ b/src/gmxlib/gmx_lapack/slabrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slacpy.c b/src/gmxlib/gmx_lapack/slacpy.c index 5933604741..26370530a5 100644 --- a/src/gmxlib/gmx_lapack/slacpy.c +++ b/src/gmxlib/gmx_lapack/slacpy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slae2.c b/src/gmxlib/gmx_lapack/slae2.c index 384d1c8bc9..d06dea24ad 100644 --- a/src/gmxlib/gmx_lapack/slae2.c +++ b/src/gmxlib/gmx_lapack/slae2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slaebz.c b/src/gmxlib/gmx_lapack/slaebz.c index 8de93fa9bd..8ac2ca64be 100644 --- a/src/gmxlib/gmx_lapack/slaebz.c +++ b/src/gmxlib/gmx_lapack/slaebz.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slaed6.c b/src/gmxlib/gmx_lapack/slaed6.c index 971327b32a..08382b4629 100644 --- a/src/gmxlib/gmx_lapack/slaed6.c +++ b/src/gmxlib/gmx_lapack/slaed6.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slaev2.c b/src/gmxlib/gmx_lapack/slaev2.c index 2960393481..11a8e03f39 100644 --- a/src/gmxlib/gmx_lapack/slaev2.c +++ b/src/gmxlib/gmx_lapack/slaev2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slagtf.c b/src/gmxlib/gmx_lapack/slagtf.c index 15279dab32..d2ceac0d18 100644 --- a/src/gmxlib/gmx_lapack/slagtf.c +++ b/src/gmxlib/gmx_lapack/slagtf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slagts.c b/src/gmxlib/gmx_lapack/slagts.c index 07caba34aa..2dd23a15bb 100644 --- a/src/gmxlib/gmx_lapack/slagts.c +++ b/src/gmxlib/gmx_lapack/slagts.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slamrg.c b/src/gmxlib/gmx_lapack/slamrg.c index 95e62dd88b..5d56ae5487 100644 --- a/src/gmxlib/gmx_lapack/slamrg.c +++ b/src/gmxlib/gmx_lapack/slamrg.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slange.c b/src/gmxlib/gmx_lapack/slange.c index f322e7462c..86c955a385 100644 --- a/src/gmxlib/gmx_lapack/slange.c +++ b/src/gmxlib/gmx_lapack/slange.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slanst.c b/src/gmxlib/gmx_lapack/slanst.c index 0b1fac496b..085ec75f85 100644 --- a/src/gmxlib/gmx_lapack/slanst.c +++ b/src/gmxlib/gmx_lapack/slanst.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slansy.c b/src/gmxlib/gmx_lapack/slansy.c index 14541c8318..86e907f511 100644 --- a/src/gmxlib/gmx_lapack/slansy.c +++ b/src/gmxlib/gmx_lapack/slansy.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include diff --git a/src/gmxlib/gmx_lapack/slapy2.c b/src/gmxlib/gmx_lapack/slapy2.c index 252d2c9c01..6c252e1068 100644 --- a/src/gmxlib/gmx_lapack/slapy2.c +++ b/src/gmxlib/gmx_lapack/slapy2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slar1vx.c b/src/gmxlib/gmx_lapack/slar1vx.c index 3790225109..6a6d0eaa7c 100644 --- a/src/gmxlib/gmx_lapack/slar1vx.c +++ b/src/gmxlib/gmx_lapack/slar1vx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slarf.c b/src/gmxlib/gmx_lapack/slarf.c index e01ebee10c..f721e51c30 100644 --- a/src/gmxlib/gmx_lapack/slarf.c +++ b/src/gmxlib/gmx_lapack/slarf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slarfb.c b/src/gmxlib/gmx_lapack/slarfb.c index 9c353d888c..f78594937f 100644 --- a/src/gmxlib/gmx_lapack/slarfb.c +++ b/src/gmxlib/gmx_lapack/slarfb.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slarfg.c b/src/gmxlib/gmx_lapack/slarfg.c index 3064cb98e7..6aebdf8c13 100644 --- a/src/gmxlib/gmx_lapack/slarfg.c +++ b/src/gmxlib/gmx_lapack/slarfg.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slarft.c b/src/gmxlib/gmx_lapack/slarft.c index d891fd2e68..84e3044af7 100644 --- a/src/gmxlib/gmx_lapack/slarft.c +++ b/src/gmxlib/gmx_lapack/slarft.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slarnv.c b/src/gmxlib/gmx_lapack/slarnv.c index 76f58ce6b3..edf3f46408 100644 --- a/src/gmxlib/gmx_lapack/slarnv.c +++ b/src/gmxlib/gmx_lapack/slarnv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slarrbx.c b/src/gmxlib/gmx_lapack/slarrbx.c index e2e7171e3c..c8993c5486 100644 --- a/src/gmxlib/gmx_lapack/slarrbx.c +++ b/src/gmxlib/gmx_lapack/slarrbx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slarrex.c b/src/gmxlib/gmx_lapack/slarrex.c index b666f2d952..8784aead45 100644 --- a/src/gmxlib/gmx_lapack/slarrex.c +++ b/src/gmxlib/gmx_lapack/slarrex.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slarrfx.c b/src/gmxlib/gmx_lapack/slarrfx.c index f54ceddc74..83a9f36625 100644 --- a/src/gmxlib/gmx_lapack/slarrfx.c +++ b/src/gmxlib/gmx_lapack/slarrfx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slarrvx.c b/src/gmxlib/gmx_lapack/slarrvx.c index f192075cbb..60ba66fbd7 100644 --- a/src/gmxlib/gmx_lapack/slarrvx.c +++ b/src/gmxlib/gmx_lapack/slarrvx.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slartg.c b/src/gmxlib/gmx_lapack/slartg.c index 478d0a3d5c..93bf5b3fc0 100644 --- a/src/gmxlib/gmx_lapack/slartg.c +++ b/src/gmxlib/gmx_lapack/slartg.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/slaruv.c b/src/gmxlib/gmx_lapack/slaruv.c index 2e75f15966..64990d36a4 100644 --- a/src/gmxlib/gmx_lapack/slaruv.c +++ b/src/gmxlib/gmx_lapack/slaruv.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slas2.c b/src/gmxlib/gmx_lapack/slas2.c index ac91381825..279acc9a57 100644 --- a/src/gmxlib/gmx_lapack/slas2.c +++ b/src/gmxlib/gmx_lapack/slas2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slascl.c b/src/gmxlib/gmx_lapack/slascl.c index f2027a83b3..01aa3e143c 100644 --- a/src/gmxlib/gmx_lapack/slascl.c +++ b/src/gmxlib/gmx_lapack/slascl.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include diff --git a/src/gmxlib/gmx_lapack/slasd0.c b/src/gmxlib/gmx_lapack/slasd0.c index 4bea4e4a25..c8958320c0 100644 --- a/src/gmxlib/gmx_lapack/slasd0.c +++ b/src/gmxlib/gmx_lapack/slasd0.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/slasd1.c b/src/gmxlib/gmx_lapack/slasd1.c index f32da0e751..d1a4ebb149 100644 --- a/src/gmxlib/gmx_lapack/slasd1.c +++ b/src/gmxlib/gmx_lapack/slasd1.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasd2.c b/src/gmxlib/gmx_lapack/slasd2.c index 320bb50e49..b44b65f693 100644 --- a/src/gmxlib/gmx_lapack/slasd2.c +++ b/src/gmxlib/gmx_lapack/slasd2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasd3.c b/src/gmxlib/gmx_lapack/slasd3.c index a35136f10e..df40615207 100644 --- a/src/gmxlib/gmx_lapack/slasd3.c +++ b/src/gmxlib/gmx_lapack/slasd3.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasd4.c b/src/gmxlib/gmx_lapack/slasd4.c index 927f6a4e3b..906c020c07 100644 --- a/src/gmxlib/gmx_lapack/slasd4.c +++ b/src/gmxlib/gmx_lapack/slasd4.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/slasd5.c b/src/gmxlib/gmx_lapack/slasd5.c index d826fb097c..9a9d07f419 100644 --- a/src/gmxlib/gmx_lapack/slasd5.c +++ b/src/gmxlib/gmx_lapack/slasd5.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasd6.c b/src/gmxlib/gmx_lapack/slasd6.c index 4d2b94958d..239b3a4edf 100644 --- a/src/gmxlib/gmx_lapack/slasd6.c +++ b/src/gmxlib/gmx_lapack/slasd6.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasd7.c b/src/gmxlib/gmx_lapack/slasd7.c index b2715cda78..d60f2b79c6 100644 --- a/src/gmxlib/gmx_lapack/slasd7.c +++ b/src/gmxlib/gmx_lapack/slasd7.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slasd8.c b/src/gmxlib/gmx_lapack/slasd8.c index 247e546f12..6ed99a4b7b 100644 --- a/src/gmxlib/gmx_lapack/slasd8.c +++ b/src/gmxlib/gmx_lapack/slasd8.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasda.c b/src/gmxlib/gmx_lapack/slasda.c index 19c9931512..162201c749 100644 --- a/src/gmxlib/gmx_lapack/slasda.c +++ b/src/gmxlib/gmx_lapack/slasda.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasdq.c b/src/gmxlib/gmx_lapack/slasdq.c index 54ad7945cc..f1aec5b564 100644 --- a/src/gmxlib/gmx_lapack/slasdq.c +++ b/src/gmxlib/gmx_lapack/slasdq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/slasdt.c b/src/gmxlib/gmx_lapack/slasdt.c index a879dd4383..dd422a3a15 100644 --- a/src/gmxlib/gmx_lapack/slasdt.c +++ b/src/gmxlib/gmx_lapack/slasdt.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slaset.c b/src/gmxlib/gmx_lapack/slaset.c index 59b024e5b5..e7150194e0 100644 --- a/src/gmxlib/gmx_lapack/slaset.c +++ b/src/gmxlib/gmx_lapack/slaset.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasq1.c b/src/gmxlib/gmx_lapack/slasq1.c index c61ff7f179..18c658c4c8 100644 --- a/src/gmxlib/gmx_lapack/slasq1.c +++ b/src/gmxlib/gmx_lapack/slasq1.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasq2.c b/src/gmxlib/gmx_lapack/slasq2.c index 98660fc320..7f27dc2cd2 100644 --- a/src/gmxlib/gmx_lapack/slasq2.c +++ b/src/gmxlib/gmx_lapack/slasq2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/slasq3.c b/src/gmxlib/gmx_lapack/slasq3.c index 7a18aea4d2..9341ed612c 100644 --- a/src/gmxlib/gmx_lapack/slasq3.c +++ b/src/gmxlib/gmx_lapack/slasq3.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slasq4.c b/src/gmxlib/gmx_lapack/slasq4.c index a35f83f9c0..7e79e2bfcf 100644 --- a/src/gmxlib/gmx_lapack/slasq4.c +++ b/src/gmxlib/gmx_lapack/slasq4.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slasq5.c b/src/gmxlib/gmx_lapack/slasq5.c index 11ef6ef3f7..f456e53f77 100644 --- a/src/gmxlib/gmx_lapack/slasq5.c +++ b/src/gmxlib/gmx_lapack/slasq5.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasq6.c b/src/gmxlib/gmx_lapack/slasq6.c index 41bf503b1d..95e2ac9303 100644 --- a/src/gmxlib/gmx_lapack/slasq6.c +++ b/src/gmxlib/gmx_lapack/slasq6.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/slasr.c b/src/gmxlib/gmx_lapack/slasr.c index bba0142bf6..a1cbbc506b 100644 --- a/src/gmxlib/gmx_lapack/slasr.c +++ b/src/gmxlib/gmx_lapack/slasr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/slasrt.c b/src/gmxlib/gmx_lapack/slasrt.c index 6cf7c1e505..32ce5f8a87 100644 --- a/src/gmxlib/gmx_lapack/slasrt.c +++ b/src/gmxlib/gmx_lapack/slasrt.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/slasrt2.c b/src/gmxlib/gmx_lapack/slasrt2.c index 6ed1466af8..d0f3e4afd6 100644 --- a/src/gmxlib/gmx_lapack/slasrt2.c +++ b/src/gmxlib/gmx_lapack/slasrt2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void F77_FUNC(slasrt2,SLASRT2)(const char *id, diff --git a/src/gmxlib/gmx_lapack/slassq.c b/src/gmxlib/gmx_lapack/slassq.c index d86196ab61..95b84b0a99 100644 --- a/src/gmxlib/gmx_lapack/slassq.c +++ b/src/gmxlib/gmx_lapack/slassq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/slasv2.c b/src/gmxlib/gmx_lapack/slasv2.c index a77f3f3a1f..7fe5ccac15 100644 --- a/src/gmxlib/gmx_lapack/slasv2.c +++ b/src/gmxlib/gmx_lapack/slasv2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/slaswp.c b/src/gmxlib/gmx_lapack/slaswp.c index 0e673928e4..4f44e7e5cd 100644 --- a/src/gmxlib/gmx_lapack/slaswp.c +++ b/src/gmxlib/gmx_lapack/slaswp.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" /* LAPACK */ diff --git a/src/gmxlib/gmx_lapack/slatrd.c b/src/gmxlib/gmx_lapack/slatrd.c index 4636e5fe67..786572edd4 100644 --- a/src/gmxlib/gmx_lapack/slatrd.c +++ b/src/gmxlib/gmx_lapack/slatrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/sorg2r.c b/src/gmxlib/gmx_lapack/sorg2r.c index 1a76940066..a7def64b15 100644 --- a/src/gmxlib/gmx_lapack/sorg2r.c +++ b/src/gmxlib/gmx_lapack/sorg2r.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/sorgbr.c b/src/gmxlib/gmx_lapack/sorgbr.c index 2226f19cd8..ee5a5cd99f 100644 --- a/src/gmxlib/gmx_lapack/sorgbr.c +++ b/src/gmxlib/gmx_lapack/sorgbr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sorgl2.c b/src/gmxlib/gmx_lapack/sorgl2.c index 21d9e3dc96..102599fd96 100644 --- a/src/gmxlib/gmx_lapack/sorgl2.c +++ b/src/gmxlib/gmx_lapack/sorgl2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/sorglq.c b/src/gmxlib/gmx_lapack/sorglq.c index 779b8b4f0a..e9acf39147 100644 --- a/src/gmxlib/gmx_lapack/sorglq.c +++ b/src/gmxlib/gmx_lapack/sorglq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #define SORGLQ_BLOCKSIZE 32 diff --git a/src/gmxlib/gmx_lapack/sorgqr.c b/src/gmxlib/gmx_lapack/sorgqr.c index 16c16669a1..f55b7a58af 100644 --- a/src/gmxlib/gmx_lapack/sorgqr.c +++ b/src/gmxlib/gmx_lapack/sorgqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sorm2l.c b/src/gmxlib/gmx_lapack/sorm2l.c index fd4eadac28..8982ed3872 100644 --- a/src/gmxlib/gmx_lapack/sorm2l.c +++ b/src/gmxlib/gmx_lapack/sorm2l.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/sorm2r.c b/src/gmxlib/gmx_lapack/sorm2r.c index 1fa6712b21..4c2b6e9d2e 100644 --- a/src/gmxlib/gmx_lapack/sorm2r.c +++ b/src/gmxlib/gmx_lapack/sorm2r.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" void diff --git a/src/gmxlib/gmx_lapack/sormbr.c b/src/gmxlib/gmx_lapack/sormbr.c index 2ec3feb941..53cf90fdbf 100644 --- a/src/gmxlib/gmx_lapack/sormbr.c +++ b/src/gmxlib/gmx_lapack/sormbr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sorml2.c b/src/gmxlib/gmx_lapack/sorml2.c index 997b6ae6b4..1ca3bfd5d2 100644 --- a/src/gmxlib/gmx_lapack/sorml2.c +++ b/src/gmxlib/gmx_lapack/sorml2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/sormlq.c b/src/gmxlib/gmx_lapack/sormlq.c index fd0975a2a5..554020b2df 100644 --- a/src/gmxlib/gmx_lapack/sormlq.c +++ b/src/gmxlib/gmx_lapack/sormlq.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sormql.c b/src/gmxlib/gmx_lapack/sormql.c index 33ae8a8f25..131dfdf6eb 100644 --- a/src/gmxlib/gmx_lapack/sormql.c +++ b/src/gmxlib/gmx_lapack/sormql.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sormqr.c b/src/gmxlib/gmx_lapack/sormqr.c index 68d666bb59..fe66345142 100644 --- a/src/gmxlib/gmx_lapack/sormqr.c +++ b/src/gmxlib/gmx_lapack/sormqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sormtr.c b/src/gmxlib/gmx_lapack/sormtr.c index 85cdcef0a8..804f35cf20 100644 --- a/src/gmxlib/gmx_lapack/sormtr.c +++ b/src/gmxlib/gmx_lapack/sormtr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sstebz.c b/src/gmxlib/gmx_lapack/sstebz.c index 7294cae1b0..cd16353fe8 100644 --- a/src/gmxlib/gmx_lapack/sstebz.c +++ b/src/gmxlib/gmx_lapack/sstebz.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sstegr.c b/src/gmxlib/gmx_lapack/sstegr.c index 13db6bd1f0..11594e7c09 100644 --- a/src/gmxlib/gmx_lapack/sstegr.c +++ b/src/gmxlib/gmx_lapack/sstegr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/sstein.c b/src/gmxlib/gmx_lapack/sstein.c index 0f1da7e172..b17ab4245a 100644 --- a/src/gmxlib/gmx_lapack/sstein.c +++ b/src/gmxlib/gmx_lapack/sstein.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/ssteqr.c b/src/gmxlib/gmx_lapack/ssteqr.c index a18ca56a91..3f18ccbee2 100644 --- a/src/gmxlib/gmx_lapack/ssteqr.c +++ b/src/gmxlib/gmx_lapack/ssteqr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/ssterf.c b/src/gmxlib/gmx_lapack/ssterf.c index 91190d5afe..659ecdb533 100644 --- a/src/gmxlib/gmx_lapack/ssterf.c +++ b/src/gmxlib/gmx_lapack/ssterf.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/sstevr.c b/src/gmxlib/gmx_lapack/sstevr.c index 29f2ccc9c5..1c24f5df01 100644 --- a/src/gmxlib/gmx_lapack/sstevr.c +++ b/src/gmxlib/gmx_lapack/sstevr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_lapack/ssyevr.c b/src/gmxlib/gmx_lapack/ssyevr.c index d454319a5f..46f88cff0d 100644 --- a/src/gmxlib/gmx_lapack/ssyevr.c +++ b/src/gmxlib/gmx_lapack/ssyevr.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" diff --git a/src/gmxlib/gmx_lapack/ssytd2.c b/src/gmxlib/gmx_lapack/ssytd2.c index 435517ddbd..0ab95fd086 100644 --- a/src/gmxlib/gmx_lapack/ssytd2.c +++ b/src/gmxlib/gmx_lapack/ssytd2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include diff --git a/src/gmxlib/gmx_lapack/ssytrd.c b/src/gmxlib/gmx_lapack/ssytrd.c index 7667b6518b..9768b46ace 100644 --- a/src/gmxlib/gmx_lapack/ssytrd.c +++ b/src/gmxlib/gmx_lapack/ssytrd.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/strti2.c b/src/gmxlib/gmx_lapack/strti2.c index 7973107a1b..ab26b14495 100644 --- a/src/gmxlib/gmx_lapack/strti2.c +++ b/src/gmxlib/gmx_lapack/strti2.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "gmx_blas.h" #include "gmx_lapack.h" #include "lapack_limits.h" diff --git a/src/gmxlib/gmx_lapack/strtri.c b/src/gmxlib/gmx_lapack/strtri.c index 750484e166..db8011ee30 100644 --- a/src/gmxlib/gmx_lapack/strtri.c +++ b/src/gmxlib/gmx_lapack/strtri.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include #include "gmx_blas.h" #include "gmx_lapack.h" diff --git a/src/gmxlib/gmx_matrix.c b/src/gmxlib/gmx_matrix.c index e302bb1942..95b6aad11f 100644 --- a/src/gmxlib/gmx_matrix.c +++ b/src/gmxlib/gmx_matrix.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.0.99 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmx_omp_nthreads.c b/src/gmxlib/gmx_omp_nthreads.c index ead6af6940..8915ed9a90 100644 --- a/src/gmxlib/gmx_omp_nthreads.c +++ b/src/gmxlib/gmx_omp_nthreads.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #include diff --git a/src/gmxlib/gmx_random.c b/src/gmxlib/gmx_random.c index e599cb4200..bbd1f75957 100644 --- a/src/gmxlib/gmx_random.c +++ b/src/gmxlib/gmx_random.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmx_sort.c b/src/gmxlib/gmx_sort.c index e0fe87bd1f..3cec3abd3c 100644 --- a/src/gmxlib/gmx_sort.c +++ b/src/gmxlib/gmx_sort.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2010 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/gmx_system_xdr.c b/src/gmxlib/gmx_system_xdr.c index e66a59970c..7694368137 100644 --- a/src/gmxlib/gmx_system_xdr.c +++ b/src/gmxlib/gmx_system_xdr.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmxcpp.c b/src/gmxlib/gmxcpp.c index f59eb47bda..8a7e4c6fdb 100644 --- a/src/gmxlib/gmxcpp.c +++ b/src/gmxlib/gmxcpp.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmxfio.c b/src/gmxlib/gmxfio.c index 0be756d504..a4852e74fd 100644 --- a/src/gmxlib/gmxfio.c +++ b/src/gmxlib/gmxfio.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmxfio_asc.c b/src/gmxlib/gmxfio_asc.c index 42245f6933..9c8d92fd81 100644 --- a/src/gmxlib/gmxfio_asc.c +++ b/src/gmxlib/gmxfio_asc.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/src/gmxlib/gmxfio_bin.c b/src/gmxlib/gmxfio_bin.c index 307704f736..2928eb4622 100644 --- a/src/gmxlib/gmxfio_bin.c +++ b/src/gmxlib/gmxfio_bin.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmxfio_int.h b/src/gmxlib/gmxfio_int.h index a43091f024..ef1157a732 100644 --- a/src/gmxlib/gmxfio_int.h +++ b/src/gmxlib/gmxfio_int.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/src/gmxlib/gmxfio_rw.c b/src/gmxlib/gmxfio_rw.c index 5185472863..6fe117680b 100644 --- a/src/gmxlib/gmxfio_rw.c +++ b/src/gmxlib/gmxfio_rw.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gmxfio_xdr.c b/src/gmxlib/gmxfio_xdr.c index 88ba918c0f..507761137f 100644 --- a/src/gmxlib/gmxfio_xdr.c +++ b/src/gmxlib/gmxfio_xdr.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/gpu_utils/CMakeLists.txt b/src/gmxlib/gpu_utils/CMakeLists.txt index bf45130afe..660d98732b 100644 --- a/src/gmxlib/gpu_utils/CMakeLists.txt +++ b/src/gmxlib/gpu_utils/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # (slightly sloppy) OS definitions required by memtestG80 set(_os_def) if(UNIX) diff --git a/src/gmxlib/gpu_utils/gpu_utils.cu b/src/gmxlib/gpu_utils/gpu_utils.cu index c29b74dff1..bd7b9f93e5 100644 --- a/src/gmxlib/gpu_utils/gpu_utils.cu +++ b/src/gmxlib/gpu_utils/gpu_utils.cu @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #include diff --git a/src/gmxlib/ifunc.c b/src/gmxlib/ifunc.c index 6e2625552a..7192984d18 100644 --- a/src/gmxlib/ifunc.c +++ b/src/gmxlib/ifunc.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/index.c b/src/gmxlib/index.c index 91df2be5dc..815fa1a690 100644 --- a/src/gmxlib/index.c +++ b/src/gmxlib/index.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/inputrec.c b/src/gmxlib/inputrec.c index f6640328d4..8f7fdb42d9 100644 --- a/src/gmxlib/inputrec.c +++ b/src/gmxlib/inputrec.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/invblock.c b/src/gmxlib/invblock.c index e57b7f5ffa..dc7b4a8a8c 100644 --- a/src/gmxlib/invblock.c +++ b/src/gmxlib/invblock.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/invsqrt_test.c b/src/gmxlib/invsqrt_test.c index 1313442a3f..d45c48050e 100644 --- a/src/gmxlib/invsqrt_test.c +++ b/src/gmxlib/invsqrt_test.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/libxdrf.c b/src/gmxlib/libxdrf.c index 9a2be229fe..53695946c5 100644 --- a/src/gmxlib/libxdrf.c +++ b/src/gmxlib/libxdrf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/macros.c b/src/gmxlib/macros.c index b4bbe1a83c..48de44c6a5 100644 --- a/src/gmxlib/macros.c +++ b/src/gmxlib/macros.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/main.c b/src/gmxlib/main.c index 97bb748681..6b8c27b024 100644 --- a/src/gmxlib/main.c +++ b/src/gmxlib/main.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/maths.c b/src/gmxlib/maths.c index 593cd4901a..c64d1bfb74 100644 --- a/src/gmxlib/maths.c +++ b/src/gmxlib/maths.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/matio.c b/src/gmxlib/matio.c index ebfccd4526..1e8bbc4915 100644 --- a/src/gmxlib/matio.c +++ b/src/gmxlib/matio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/md5.c b/src/gmxlib/md5.c index ce195bee2e..e42b18300e 100644 --- a/src/gmxlib/md5.c +++ b/src/gmxlib/md5.c @@ -1,35 +1,38 @@ /* - * - * This source code is distributed with - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Gromacs is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/md_logging.c b/src/gmxlib/md_logging.c index a7a87fe5eb..1f37e7d143 100644 --- a/src/gmxlib/md_logging.c +++ b/src/gmxlib/md_logging.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/minvert.h b/src/gmxlib/minvert.h index e55b4cc15f..948d8e4804 100644 --- a/src/gmxlib/minvert.h +++ b/src/gmxlib/minvert.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _minvert_h diff --git a/src/gmxlib/molfile_plugin.h b/src/gmxlib/molfile_plugin.h index 52b550dee0..b6797165de 100644 --- a/src/gmxlib/molfile_plugin.h +++ b/src/gmxlib/molfile_plugin.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ /*************************************************************************** diff --git a/src/gmxlib/mshift.c b/src/gmxlib/mshift.c index 7fb2314fdb..abf9b7acd3 100644 --- a/src/gmxlib/mshift.c +++ b/src/gmxlib/mshift.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/mtop_util.c b/src/gmxlib/mtop_util.c index 7ffce20878..a427ea6a81 100644 --- a/src/gmxlib/mtop_util.c +++ b/src/gmxlib/mtop_util.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/mtxio.c b/src/gmxlib/mtxio.c index 19780797cf..d6bed36139 100644 --- a/src/gmxlib/mtxio.c +++ b/src/gmxlib/mtxio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/mvdata.c b/src/gmxlib/mvdata.c index 30da1f11b6..ab6dc38e20 100644 --- a/src/gmxlib/mvdata.c +++ b/src/gmxlib/mvdata.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/names.c b/src/gmxlib/names.c index 356785630b..17b04eac90 100644 --- a/src/gmxlib/names.c +++ b/src/gmxlib/names.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/network.c b/src/gmxlib/network.c index 4c4afaec57..bf33760ebf 100644 --- a/src/gmxlib/network.c +++ b/src/gmxlib/network.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/CMakeLists.txt b/src/gmxlib/nonbonded/CMakeLists.txt index 5fcbe2da7f..b1987be90e 100644 --- a/src/gmxlib/nonbonded/CMakeLists.txt +++ b/src/gmxlib/nonbonded/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # Sources that should always be built file(GLOB NONBONDED_SOURCES *.c nb_kernel_c/*.c) diff --git a/src/gmxlib/nonbonded/nb_free_energy.c b/src/gmxlib/nonbonded/nb_free_energy.c index fb7bbefbd3..c59d17cda1 100644 --- a/src/gmxlib/nonbonded/nb_free_energy.c +++ b/src/gmxlib/nonbonded/nb_free_energy.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_free_energy.h b/src/gmxlib/nonbonded/nb_free_energy.h index 4e7c63805a..671e7d5a3f 100644 --- a/src/gmxlib/nonbonded/nb_free_energy.h +++ b/src/gmxlib/nonbonded/nb_free_energy.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nb_free_energy_h_ diff --git a/src/gmxlib/nonbonded/nb_generic.c b/src/gmxlib/nonbonded/nb_generic.c index a9e39ca3b4..f55262cecc 100644 --- a/src/gmxlib/nonbonded/nb_generic.c +++ b/src/gmxlib/nonbonded/nb_generic.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_generic.h b/src/gmxlib/nonbonded/nb_generic.h index 845ca56997..d4c024199b 100644 --- a/src/gmxlib/nonbonded/nb_generic.h +++ b/src/gmxlib/nonbonded/nb_generic.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nb_generic_h_ diff --git a/src/gmxlib/nonbonded/nb_generic_adress.c b/src/gmxlib/nonbonded/nb_generic_adress.c index 364a568b1c..8b863d6b78 100644 --- a/src/gmxlib/nonbonded/nb_generic_adress.c +++ b/src/gmxlib/nonbonded/nb_generic_adress.c @@ -1,36 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_generic_adress.h b/src/gmxlib/nonbonded/nb_generic_adress.h index 205f56043f..d7a8db7abd 100644 --- a/src/gmxlib/nonbonded/nb_generic_adress.h +++ b/src/gmxlib/nonbonded/nb_generic_adress.h @@ -1,36 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.0.5 - * Written by Christoph Junghans, Brad Lambeth, and possibly others. * Copyright (c) 2009 Christoph Junghans, Brad Lambeth. - * All rights reserved. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nb_generic_adress_h_ diff --git a/src/gmxlib/nonbonded/nb_generic_cg.c b/src/gmxlib/nonbonded/nb_generic_cg.c index 5349f26e7d..73bda6477e 100644 --- a/src/gmxlib/nonbonded/nb_generic_cg.c +++ b/src/gmxlib/nonbonded/nb_generic_cg.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_generic_cg.h b/src/gmxlib/nonbonded/nb_generic_cg.h index 5e760522d5..71d396da3d 100644 --- a/src/gmxlib/nonbonded/nb_generic_cg.h +++ b/src/gmxlib/nonbonded/nb_generic_cg.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nb_generic_cg_h_ diff --git a/src/gmxlib/nonbonded/nb_kernel.c b/src/gmxlib/nonbonded/nb_kernel.c index 350f6834c0..712d7ad141 100644 --- a/src/gmxlib/nonbonded/nb_kernel.c +++ b/src/gmxlib/nonbonded/nb_kernel.c @@ -1,21 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel.h b/src/gmxlib/nonbonded/nb_kernel.h index 2830ec6017..50636439a3 100644 --- a/src/gmxlib/nonbonded/nb_kernel.h +++ b/src/gmxlib/nonbonded/nb_kernel.h @@ -1,21 +1,36 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * This file is part of GROMACS. - * Copyright (c) 2012- + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * Written by the Gromacs development team under coordination of - * David van der Spoel, Berk Hess, and Erik Lindahl. - * - * This library is free software; you can redistribute it and/or + * GROMACS is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2 + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nb_kernel_h_ #define _nb_kernel_h_ diff --git a/src/gmxlib/nonbonded/nb_kernel_adress_c/nb_kernel234_adress.h b/src/gmxlib/nonbonded/nb_kernel_adress_c/nb_kernel234_adress.h index 7f79a0093d..e69de29bb2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_adress_c/nb_kernel234_adress.h +++ b/src/gmxlib/nonbonded/nb_kernel_adress_c/nb_kernel234_adress.h @@ -1,113 +0,0 @@ -/* - * This source code is part of - * - * G R O M A C S - * - * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2009, The GROMACS Development Team - * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org - * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. - * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. - * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! - */ -#ifndef _NBKERNEL234_ADRESS_H_ -#define _NBKERNEL234_ADRESS_H_ - -/*! \file nb_kernel234.h - * \brief Nonbonded kernel adress 234 (RF Coul + Tab VdW, TIP4p-TIP4p) - * - * \internal - */ - -#include "types/simple.h" - -#ifdef __cplusplus -extern "C" { -#endif -#if 0 -} -#endif - - -/*! \brief Nonbonded kernel adress 234 with forces. - * - * Coulomb interaction: Reaction-Field
- * VdW interaction: Tabulated
- * Water optimization: TIP4p - TIP4p
- * Forces calculated: Yes
- * - * \note All level1 and level2 nonbonded kernels use the same - * call sequence. Parameters are documented in nb_kernel.h - */ -void -nb_kernel234_adress_ex - (int * nri, int iinr[], - int jindex[], int jjnr[], - int shift[], real shiftvec[], - real fshift[], int gid[], - real pos[], real faction[], - real charge[], real * facel, - real * krf, real * crf, - real Vc[], int type[], - int * ntype, real vdwparam[], - real Vvdw[], real * tabscale, - real VFtab[], real invsqrta[], - real dvda[], real * gbtabscale, - real GBtab[], int * nthreads, - int * count, void * mtx, - int * outeriter, int * inneriter, - real force_cap, real * wf); - - -/*! \brief Nonbonded kernel adress 234 without forces. - * - * Coulomb interaction: Reaction-Field
- * VdW interaction: Tabulated
- * Water optimization: TIP4p - TIP4p
- * Forces calculated: No
- * - * \note All level1 and level2 nonbonded kernels use the same - * call sequence. Parameters are documented in nb_kernel.h - */ -void -nb_kernel234_adress_cg - (int * nri, int iinr[], - int jindex[], int jjnr[], - int shift[], real shiftvec[], - real fshift[], int gid[], - real pos[], real faction[], - real charge[], real * facel, - real * krf, real * crf, - real Vc[], int type[], - int * ntype, real vdwparam[], - real Vvdw[], real * tabscale, - real VFtab[], real invsqrta[], - real dvda[], real * gbtabscale, - real GBtab[], int * nthreads, - int * count, void * mtx, - int * outeriter, int * inneriter, - real force_cap, real * wf); - - -#ifdef __cplusplus -} -#endif - -#endif /* _NBKERNEL234_ADRESS_H_ */ diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/make_nb_kernel_avx_128_fma_double.py b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/make_nb_kernel_avx_128_fma_double.py index 31e8b758fb..aafb1d8a1f 100755 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/make_nb_kernel_avx_128_fma_double.py +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/make_nb_kernel_avx_128_fma_double.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'avx_128_fma_double' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_double.c index ae6cc645f4..4027dc6063 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_double.c index 80ea07c6bf..dbc376963c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_double.c index 134010236d..2a91f92e46 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_double.c index f95aa7b1fe..d5f3a68ded 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_double.c index 802971767b..fa30465187 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_double.c index 87b4cc3afc..dfba1225fe 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_double.c index 52659d31db..2227506e89 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_double.c index 57c38254a9..38951852fb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_double.c index 41e27d444c..07d53b4a69 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_double.c index defc2bd900..5e363fae94 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_double.c index f8f9d07dfe..b0f5ab8fff 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_double.c index 88f3655f73..df7fc39b05 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_double.c index 27d5f47433..c502824adf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_double.c index e3c0a0fbcc..b6e8166bb2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_double.c index b254698ac3..750fd508d5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_double.c index 8ad50175a3..e3124befbc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_double.c index dbd4a50c93..e03dc6df29 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_double.c index 1a9adc96eb..bbaefc1e69 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_double.c index 0d63469640..502e4ea2bd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_double.c index 9bb61ed049..3abdac749f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_double.c index c39dde601f..8ddba58e17 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_double.c index d480839af2..e259b16073 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_double.c index 8f30457600..e5c3bc8ef1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_double.c index 7f8ee8b606..ddefff3d3d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_double.c index ce1c94c82b..11d70b212a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_double.c index 35c40a2028..19e07669f0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_double.c index ab7b258866..8b7a8789c6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_double.c index c4120f80a8..6036ebf7e4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_double.c index 6d0cd1a0e7..277db0654a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_double.c index e152bf511b..cd313bc6c7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_double.c index 27f5f11fcc..7feb855219 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_double.c index 10421c4bf1..3dccb3bc45 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_double.c index 907841fac8..24bd8b5f06 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_double.c index 282cbdd33f..304e10c2cb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_double.c index 1aa728a986..c0dc9a727c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_double.c index 550c507ee6..502da49b7c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_double.c index 04395412ba..98b937197b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_double.c index 38681e5c39..8414443421 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_double.c index a7dff56e74..4f6ad6b931 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_double.c index 59a864617a..b44168d58f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_double.c index d50b2b4eff..7655b29c2f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_double.c index ece096f047..4cd50594da 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_double.c index 0cec369c94..474ca845e5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_double.c index 1243f9ed56..8c80ce0f44 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_double.c index 36a89a3555..ed760b7f64 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_double.c index 1dcbbb8248..22b1449df9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_double.c index 33cb677e64..3c41f765b7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_double.c index ed77984f26..9d64cb8ff1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_double.c index 2d03625a12..d2443133e0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_double.c index f8b39b4cd2..a97aa1eb22 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_double.c index 65701d445b..91abc1cc33 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_double.c index 181252b476..ec74d4a80d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_double.c index e50885c69d..e703d62139 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_double.c index 346bf8489d..94fb03473d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_double.c index 3cc0243af9..911a3967ee 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_double.c index 00c5343664..0710b827a4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_double.c index 43f77c8909..3118e110ac 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_double.c index 85ff457357..f7ee58fe5b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_double.c index e501a465e0..342ed64d76 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_double.c index 938620508f..9ec418737d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_double.c index 63274cfaf1..1143af6934 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_double.c index 42d87dc3a8..fef483fc01 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_double.c index 0ded4dccc8..1413673302 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_double.c index efc2f69db5..b43e9a909b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_double.c index 54df7bdf44..5d73b0be8e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_double.c index 8e3b8debc1..1590af00f2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_double.c index ea36c2a729..1180dd8ae2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_double.c index 4d4396f105..7cea363fd6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_double.c index f8fde74f56..8b07b0dc64 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_double.c index f63895769f..4ead2ed06d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_double.c index ca534d1e2f..02981cb93a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_double.c index 2be73b704b..507230470a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_double.c index ba37ec536c..7d9f880ff4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_double.c index c1103778a1..8f56ee072f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_double.c index 03b33cfbc3..c634d010a8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_double.c index cb815c3ac6..ccb7f614fc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_double.c index e29894683a..4f1ceb677f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_double.c index 355881c25d..4165af08f5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_double.c index 2ad540f458..7fa3d68b40 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_double.c index 8e39f6e9f3..3ae225d9be 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_double.c index da5bbe369d..32b74e9039 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_double.c index ee249c974d..975fbec371 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_double.c index 773f6fbacd..a88f15fdd7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_double.c index ec01908aaf..a1e28c3b84 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_double.c index d2544857c8..f036ff0270 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_double.c index 3629190da6..aa6377a896 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_double.c index 80926a3cfc..5d92878020 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_double.c index 7df236c5b3..66ca204f4f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_double.c index 171ac0acc8..e28956092d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_double.c index 62f41bb722..5d831798c8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_double.c index 90592324db..42527ac945 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_double.c index 1abb3c7c04..6f44eebaf1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_double.c index 0011560b64..505d0ef33b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_double.c index 056b173546..54e097c802 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_double.c index 0cac5acd11..df520142e8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_double.c index 03029f5bd0..08374bbc27 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_double.c index eacf9d7629..3b4a1961bf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_double.c index 7ac3e53b17..bf66abfb99 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_double.c index 32bb365c28..6639a93faf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_double.c index 69a2bf9a72..4de252df92 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_double.c index c99dd04d8b..1248245b86 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_double.c index 610d1484e7..67990942b2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_double.c index 22dd9caae8..dc45c526a1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_double.c index e77c3867a2..cb93af9898 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_double.c index 5ac772fd7f..6da3bb8255 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_double.c index 5eef7d84c8..fb420dfaab 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_double.c index 1785319878..ce64180eef 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_avx_128_fma_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_avx_128_fma_double.c index ceb52b591e..c17bc41eab 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_avx_128_fma_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_avx_128_fma_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_double kernel generator. */ #ifndef nb_kernel_avx_128_fma_double_h #define nb_kernel_avx_128_fma_double_h diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_template_avx_128_fma_double.pre b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_template_avx_128_fma_double.pre index 43f7f24fd8..79543b4a3a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_template_avx_128_fma_double.pre +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_template_avx_128_fma_double.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/make_nb_kernel_avx_128_fma_single.py b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/make_nb_kernel_avx_128_fma_single.py index 8c7deae7cc..8fd701fe6a 100755 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/make_nb_kernel_avx_128_fma_single.py +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/make_nb_kernel_avx_128_fma_single.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'avx_128_fma_single' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c index a543d15174..9668660923 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c index ef8ce2f9db..8364e29a4b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c index 8403c41202..456ddbc88c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c index c08561fb57..e71bfe2249 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c index af14ed3d97..0641d135f4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c index bc506e3b10..c48a39f714 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c index 9d5348832a..1bd4e99f26 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c index 7dc62475dd..47ed2ca8c3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c index 06797b62da..4d093e42d7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c index c4829c07bf..74861ecc78 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c index 66c8838d88..da20dc8c33 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c index 5fe6ef95d9..10d518fa8e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c index e006a561c2..dd0935455c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c index 96dc15a0c7..29f6d4f099 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c index 5c8ba58d94..a830cbef11 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c index be795fbd2d..ea58796097 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c index a5fc539381..49302bae8f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c index f8cc427786..1c1b5ef163 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c index b36881288d..32b3a0f329 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c index ae0acb24fb..313589cf23 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c index 9d5a018935..9c5aadbc34 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c index 17f8a6367e..186d2bfe4c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c index 5f4ccc2540..0ead55a510 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c index 050a9e775c..f79d6201f5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c index 88b8545696..2503eee9d1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c index 42f05bc964..3cc261c7cf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c index 9752bf6f86..605d557598 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c index 58227d41ff..97d3fe0a81 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c index 672473b050..25b29ba203 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c index 2bf2f4262c..b16077a844 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c index 2c22e6bc06..e43aa2734e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c index 72e6ddf8b2..3a5bc9eacf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c index 9932a0e543..3c6d20e12c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c index 8fc1f35da3..aff1c4b85b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c index 3cad2a8d77..fb935ce45d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c index c4190ec934..d8ba0d76e4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c index adefdb716a..1c6049a8c8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c index a4c6812b67..ff816a99d3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c index 8fb3cc6048..f20efd1b9e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c index 225f7f75fe..5253ef3998 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c index d480836993..39ddd3a186 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c index 6b7240e93a..ae6e98aca2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c index cf94eb4fd0..ebea732b20 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c index bb098c6bdd..6d2533dc55 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c index 26572b67d4..25bcd98301 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c index 116cd44e7d..14a1d4fc43 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c index ce9ce9bdc6..0fbf8af732 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c index 20178eb0e4..49fdc21ce7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c index 2f319cb135..421db39f28 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c index 747984075c..995694fb1d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c index 972b5daba5..4f9ec95687 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c index b4e1e065ff..9b65329c35 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c index 40515aaf50..885c4d0262 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c index 583f1298bd..a591982480 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c index 5c4198b19b..82a8503a3f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c index 7ac78a58a0..74d73d3435 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c index 9fbcad1c3c..262ae2b02e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c index 37c57a6e78..796c656536 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c index fad2c65181..78c315ef31 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c index 0715ab96f8..740e15b52f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c index ca24589e34..dd91703994 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c index 263b26b790..11741ea360 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c index c8d79f1919..2b11b65d9b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c index 20e28a4763..268533998f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c index 6a64f1edc0..89c3605280 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c index d2eb10eb9c..647bb39abd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c index a0def42c3d..1d116d13c7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c index 696a9dde11..7a1739a7d5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c index 30a54bf780..893ddd85a1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c index de7f2cb3f8..e0d0b97f52 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c index cc30dd4671..c61ff5504e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c index dc76084274..96767c8657 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c index 88264727e9..3a7fcba07a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c index da83d09f84..14867c7f71 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c index db7a5530f3..1b8bcb5ca0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c index 7efd9dc900..34a7008e62 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c index f83146e733..d7581efc3d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c index 1455983e8a..4756a47aa6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c index 9bfa0bbfce..719741124b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c index 48e9cb77a4..910433e351 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c index a72c812afa..cfce00b377 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c index e87b5e41c4..5abdf5063d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c index 7e9da631d8..163fed6afd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c index 2b821a2d1b..6b2a29584e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c index c9286f1542..4c3bedf4c7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c index 086836a33d..fa5f5984d3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c index 417b232a49..d090868bae 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c index ebcf59569c..950454fb74 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c index f24ce00422..a10fc18988 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c index 03e7cda178..987bf35b57 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c index 784ebcf822..e23b93e154 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c index abaa918877..0873a0150e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c index a355ac4f79..e30af3e211 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c index 61285be3d5..7e3650f399 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c index 66afee2eba..110636e14d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c index faa8834790..cc0200995f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c index 9f46748b0b..45a6d53338 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c index 0e3143a7f4..a64f26de12 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c index 524d12845a..fe49e70f13 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c index 4b615f8460..d7a842c71d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c index 3eb635aa9a..92b59a2bff 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c index d8f6d3f891..b42dd8b1e1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c index 645daf96cb..1b25f453cd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c index 2add1292f2..9f8133f436 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c index 8133f357b3..13f145890f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c index 74874ec66d..71df000d1e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c index dc1b16bb5b..ab9208e20d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c index 20add7f0a6..c762fa9d5b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifndef nb_kernel_avx_128_fma_single_h #define nb_kernel_avx_128_fma_single_h diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre index 24d7dcc3d5..9b422fc672 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre +++ b/src/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py index 500f1e55dc..d81938bf62 100755 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'avx_256_double' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_double.c index 2f277f714c..5e579d1f61 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_double.c index f8ca813efd..6f57d4038d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_double.c index a390f709b2..ad08857305 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_double.c index f7ff5591fc..4b00530376 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_double.c index 71cbe5c1da..c7f3e88822 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_double.c index 79c8cb4053..4c3835b2cf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_double.c index 2c89d94744..b8eaf5bb46 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_double.c index 576abdd9ee..04d6e3566b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_double.c index e2aacee8cf..d8ceaeda18 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_double.c index d132597bf1..26291eb122 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_double.c index 78d8e130a3..0d0d6fba50 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_double.c index ff49f23a3e..27ef79745c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_double.c index 24cb460f5a..0c923102df 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_double.c index f62b5f4f40..7dc8f6e2f9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_double.c index e1d8e1edbb..b21dbd4acf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_double.c index f8174446f6..9422be871b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_double.c index 663ebb50b7..15d009fab4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_double.c index 3b61a71568..64d198b7b8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_double.c index f4d7f98574..9653ff01e8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_double.c index 8266aa2222..94a19d8aec 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_double.c index 6b5b157302..693980c777 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_double.c index b04ff6f961..57000e7b1e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_double.c index 172dc67d0b..2d71191330 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_double.c index f2cc1ef6c2..b4708dd5fc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_double.c index 456e3ed4bf..ddb6425c2e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_double.c index 567e96c289..c57f5c239c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_double.c index 61e29dc4a2..1622454325 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_double.c index d7eb1753ef..8462f86209 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_double.c index 90f00e1743..fcfafbc61a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_double.c index 4e4bf4fcf6..31c3c94014 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_double.c index 395cb97ba1..e9d4cd5d25 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_double.c index 8335c885fe..6de6a74a28 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_double.c index 2744788517..ac5428beae 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_double.c index bc124ee30c..b16c6db54b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_double.c index 7ac56e4341..d0351ef6aa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_double.c index 265055c7d3..18cdb95033 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_double.c index e16610b3ca..850fd9fef9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_double.c index feae0c1c6d..737096d545 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_double.c index 31eb2b991d..5a3e04a34d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_double.c index 286bdf8e55..6fc666c14b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_double.c index 41afd21a60..0e4c619dc6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_double.c index 13c115c356..c8ac07b56d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_double.c index a62cac646a..1f4487647a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_double.c index 0d4b027b8a..c4d109ba4f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_double.c index 81a843dd58..c1074761b4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_double.c index d823d26276..096a790eba 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_double.c index 066de6a24a..5137d85711 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_double.c index f5c09be1c1..6951a9d656 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_double.c index c4b8a1d02f..03b5f5fc34 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_double.c index 6187e5654f..9cc88e7025 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_double.c index 107d6ee8df..287fb2eef6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_double.c index d2f97f0066..4b3078ad9c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_double.c index 7f94be251d..91e8d98a97 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_double.c index 3c1888a21c..82b44f2667 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_double.c index 0e846bf839..e853d2fc4e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_double.c index d18c19ca1a..d110386d84 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_double.c index 5dac58b713..1adcedfddb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_double.c index 34ff8a2fe5..b0ee8bd719 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_double.c index aad46e99e5..f8ac075100 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_double.c index 500c263a62..8d250c4c20 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_double.c index 4bd38f8a37..cf1fb2f66d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_double.c index 862e4d39ed..cb3127b33a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_double.c index 296f26c87f..5b47b24cf2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_double.c index ccc91c007b..ecc8c675f3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_double.c index 7ee0e48366..15457ea0f0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_double.c index b3f1d80017..1ef26a7877 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_double.c index e1ca1e3378..246f864230 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_double.c index 4976a5da81..9d4318fdc3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_double.c index 621a3c6a2e..fb1d4115c0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_double.c index d49028ca98..559493a022 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_double.c index 13a6a80bc1..bbbe149beb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_double.c index 979835935e..a2781a5f16 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_double.c index 3d72e2377f..45659fc29a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_double.c index 2692ae11bb..96c0b08e88 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_double.c index f853fa8828..94a92b8f9c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_double.c index 900f85d01b..ad9ffc4366 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_double.c index e1345c5ec5..72695842ac 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_double.c index 2c4c3457cd..2702549656 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_double.c index efc7adbdb0..1e48649445 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_double.c index 7f5ba1dd76..16950b998f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_double.c index 61320ae427..802f3ec8e7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_double.c index 245f282a05..f75304f650 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_double.c index 6bf8d2f90b..4b053cf3bf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_double.c index 54621eea35..40902802b6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_double.c index 3f68985c13..a74e5e0c0c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_double.c index df3839a759..25a4f01d20 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_double.c index f2e5252c67..3b0ebc549c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_double.c index d45bf31e96..a1e0ec347d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_double.c index 1e73352fc1..1184d658d1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_double.c index cf489d8cc6..ac455d1f6f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_double.c index 206da669ba..e944f527ab 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_double.c index a05b13c7d5..5fea2fef74 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_double.c index f69ca59c46..b5c44bc276 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_double.c index 29ea62eb78..c8131930dd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_double.c index 568d423a9d..321b5cdc32 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_double.c index 1aa1faf160..d2770f18bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_double.c index d12e99437a..3276052f6f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_double.c index 8650211240..c98761fa08 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_double.c index 26c65e2b3a..17679c4f35 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_double.c index 0628af28f0..1d7e534fa6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_double.c index b3a18371c2..86ea4775f6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_double.c index 240e6319bb..efca627a53 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_double.c index fde9f635b9..623a01f536 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_double.c index 188ae83b91..2e46f91e02 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_double.c index c8028edda0..d9f54eaec1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_double.c index 244b59311e..97ea6f2388 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_double.c index 77221d582a..82196f0425 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_avx_256_double.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_avx_256_double.c index a887b3b9e4..2bc9446fed 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_avx_256_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_avx_256_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_double kernel generator. */ #ifndef nb_kernel_avx_256_double_h #define nb_kernel_avx_256_double_h diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre index 4e8d504286..9b69cf2102 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/make_nb_kernel_avx_256_single.py b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/make_nb_kernel_avx_256_single.py index 06f47a5002..6ef5f19b51 100755 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/make_nb_kernel_avx_256_single.py +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/make_nb_kernel_avx_256_single.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'avx_256_single' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_single.c index 565659dc68..31c5fb0cad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_single.c index 86b7aff4d2..f8f0dcbb11 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_single.c index 33159f5429..3d728387ff 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_single.c index 4c5e62780d..1cffe2a7ec 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_single.c index f91ab6581f..07c79c195a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_single.c index 73a3c8063f..bd906ca24f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_single.c index e74e1ea622..b784f7d0f2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_single.c index f23bb051cf..986548f9c1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_single.c index b053323ea4..8f9dd4578f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_single.c index 03c26728fb..f1ba4515a3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_single.c index bb66dd8bbd..f71b9a7102 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_single.c index b2c68f0676..934f3bc751 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_single.c index 2c091f21d8..927fd8c46a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_single.c index 650a5e4ed3..a41e827a19 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_single.c index 06ef3162da..6664e0a1c4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_single.c index c6ae1e74f1..045a35e70a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_single.c index 0799ac2f2e..b22c30d3bb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_single.c index 17a41dd2d3..e992f2a026 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_single.c index 011747bd8e..a2354de606 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_single.c index 346421072d..fd0fe704be 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_single.c index 96b8752601..510eacb3bf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_single.c index 3cb85ad7fc..0e00fc63a6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_single.c index bbe173ee52..4e5ea8c1a6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_single.c index 805e999fc1..f6a604e606 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_single.c index 9e7092f02b..ac13968f4e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_single.c index a7c093a52b..749e1fc53f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_single.c index ca92c2276b..e41fb33750 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_single.c index 1c6166d753..95fe5a8c50 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_single.c index efdf244ab5..cca0182fd0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_single.c index 4df4a52e86..81e46235ab 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_single.c index 7274c8b358..c9d0fae498 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_single.c index ecfcb90952..7a96a07446 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_single.c index fd3dd9b106..2916b2f070 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_single.c index c5d78652ae..3d24e70c02 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_single.c index e441ae11c2..2e43f08aa4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_single.c index 6511150d2a..5953b66aa1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_single.c index ea66b0a646..4b3faffada 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_single.c index b682f43228..91b1d38075 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_single.c index 1bb7721f74..8ba07483a1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_single.c index 10f86ba6d0..5e3db1a589 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_single.c index bbb40a07a6..076f69d887 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_single.c index b19ce001bb..848c568a43 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_single.c index b15d579a54..66b04fbb54 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_single.c index 3665057d3c..6d3370ad58 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_single.c index 2591b0a711..f23a5599fc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_single.c index 6c595c2c07..e9f0d7d690 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_single.c index 3d007c56f3..0329fee7ba 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_single.c index 5e66dd39bb..0113fe3c42 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_single.c index 7f17c08a39..4e5389d701 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_single.c index 0a937ea00d..4964bf9cd9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_single.c index e75e4e2e3a..9b2b6911a0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_single.c index 7da11bffcb..01e59f834a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_single.c index bd0f459f5c..104e53c125 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_single.c index 69c20d165d..46d16621bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_single.c index 749dfca4c1..a128da4665 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_single.c index 87c872f2ff..263b1bdd70 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_single.c index 433cd1b3ee..1530179c06 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_single.c index fb4686eebb..e9c95fc63b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_single.c index a2fb1201d7..369e8f40aa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_single.c index a5daa8c9b4..facaf49187 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_single.c index 4f995b3004..d7db207c70 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_single.c index 09e77af818..aab83d85b1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_single.c index 601ed85240..34d0f34d72 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_single.c index 0af05dbbee..7cbb8cab36 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_single.c index 284a5da518..b3495dc1d0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_single.c index 26bc33c0a4..828620dde2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_single.c index f626f71920..963e6755a3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_single.c index f8bb1ffbcd..c78677a444 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_single.c index 5666ddc23b..e49d76c185 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_single.c index 025770ae10..4523032c09 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_single.c index be4cc25aae..43cf843099 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_single.c index 7e353af6fe..36610cb583 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_single.c index 6a6a3d81fb..8d81215d51 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_single.c index c7443c3879..1cd9e05200 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_single.c index 07f5c95656..13dd6c57c5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_single.c index 0dedd687bf..1a2bfcf53f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_single.c index 0ff22e8d0b..97c3052ca4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_single.c index dfc6c5c55a..669191fedb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_single.c index faf3c431e4..1f857a9a71 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_single.c index 801b5cfff6..0a93e1962b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_single.c index 5aed38d2b7..058a8d72f5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_single.c index 0121fb8174..66b5297950 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_single.c index 0cb6467c39..9b512d9085 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_single.c index 3a1ad96f5a..525fae24bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_single.c index a0ed6cfcb0..cf92ab5cae 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_single.c index 391a1d1e9a..7a90af7cd7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_single.c index 9a3dd3b4ad..527c4749ea 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_single.c index 4b74354244..4a362865c6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_single.c index 959cd8a24c..9ac78a3780 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_single.c index e9905acc12..f73bb6d211 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_single.c index 69133ad4b9..aab55e034a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_single.c index 60d8c9a4ed..05e2b48623 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_single.c index 52efb0a3d7..d05b670ae1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_single.c index 6b85f2cb43..a2e24baa7a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_single.c index 8e3cc3af84..2ecbea99ca 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_single.c index 975e9451a5..6cd0ea336b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_single.c index 23f2fb8915..a625f7ef7f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_single.c index 828024ca3d..4ce6c5994b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_single.c index 881489348b..51de19fa37 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_single.c index 7f6b704c6c..96d682e196 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_single.c index 8d01a6d5de..bb3a802695 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_single.c index 62bc95e19a..634c315b35 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_single.c index 55e455a6b0..fc89bd4e05 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_single.c index 5a72833fef..e0b3afbd6f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_single.c index 52f5b459ec..ced4d191d0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_single.c index 2b55f13331..2d4318cf34 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_single.c index 618ab5694f..2055c12235 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_avx_256_single.c b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_avx_256_single.c index f316f44605..9e02902a63 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_avx_256_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_avx_256_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_256_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_256_single kernel generator. */ #ifndef nb_kernel_avx_256_single_h #define nb_kernel_avx_256_single_h diff --git a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre index 89bfdd3514..43b20cf23a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre +++ b/src/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nb_kernel_c/make_nb_kernel_c.py b/src/gmxlib/nonbonded/nb_kernel_c/make_nb_kernel_c.py index 579b49063b..45f4b599fb 100755 --- a/src/gmxlib/nonbonded/nb_kernel_c/make_nb_kernel_c.py +++ b/src/gmxlib/nonbonded/nb_kernel_c/make_nb_kernel_c.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -8,12 +41,12 @@ from gmxpreprocess import gmxpreprocess # "The happiest programs are programs that write other programs." # # -# This script controls the generation of Gromacs nonbonded kernels. +# This script controls the generation of GROMACS nonbonded kernels. # # We no longer generate kernels on-the-fly, so this file is not run -# during a Gromacs compile - only when we need to update the kernels (=rarely). +# during a GROMACS compile - only when we need to update the kernels (=rarely). # -# To maximize performance, each combination of interactions in Gromacs +# To maximize performance, each combination of interactions in GROMACS # has a separate nonbonded kernel without conditionals in the code. # To avoid writing hundreds of different routines for each architecture, # we instead use a custom preprocessor so we can encode the conditionals @@ -58,25 +91,41 @@ Arch = 'c' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c index 275d263b57..79f1bb4b0e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomP1P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -242,7 +258,7 @@ nb_kernel_ElecCSTab_VdwBham_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*81); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomP1P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c index 3e5637bcf6..424a1d639c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -371,7 +387,7 @@ nb_kernel_ElecCSTab_VdwBham_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*165); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c index bedb2daef9..11d7c9bab1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3W3_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -667,7 +683,7 @@ nb_kernel_ElecCSTab_VdwBham_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*408); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW3W3_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c index b67559b7fa..137888753c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -415,7 +431,7 @@ nb_kernel_ElecCSTab_VdwBham_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*187); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c index d390156db0..6bf99ffc39 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4W4_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -715,7 +731,7 @@ nb_kernel_ElecCSTab_VdwBham_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*430); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwBham_GeomW4W4_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c index 88133b621a..907a4cb07e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Particle-Particle @@ -256,7 +272,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*73); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c index a8fba8866c..c43d81a2ae 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water3-Particle @@ -385,7 +401,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*157); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c index 37aa05e050..69ff3cdb62 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 @@ -681,7 +697,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*400); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c index df7e3a3441..ad4d661140 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water4-Particle @@ -435,7 +451,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*181); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c index 1053c44b7b..53ba3ed6b7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 @@ -735,7 +751,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*424); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c index 728bd366c8..87855a7100 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -241,7 +257,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*55); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c index af2ce59510..455aac56c3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -370,7 +386,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*139); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c index 783f344d86..349cc90675 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -666,7 +682,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*382); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c index fb6311982f..45571a34a1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -411,7 +427,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*158); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c index 9fdb74a9e4..a8ad7f6c18 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -711,7 +727,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*401); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c index f63c3910b6..c6d83625f5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Particle-Particle @@ -217,7 +233,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*14 + inneriter*42); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c index ed5660ab4d..29db9d3fa6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water3-Particle @@ -346,7 +362,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3_VF,outeriter*31 + inneriter*126); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c index 9c29b163f6..239ba0b4bb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water3-Water3 @@ -642,7 +658,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3W3_VF,outeriter*31 + inneriter*369); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c index eac60efd9f..df547d6d93 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water4-Particle @@ -346,7 +362,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*31 + inneriter*126); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c index 94d76f9d8f..cbb2cee938 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water4-Water4 @@ -642,7 +658,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4W4_VF,outeriter*31 + inneriter*369); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_c * Electrostatics interaction: CubicSplineTable * VdW interaction: None * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c index f7be55203d..82ed77e1c5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomP1P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -223,7 +239,7 @@ nb_kernel_ElecCoul_VdwBham_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*67); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomP1P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c index 32bdadae71..3bf92dda37 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -324,7 +340,7 @@ nb_kernel_ElecCoul_VdwBham_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*123); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c index 4fe9979915..bb0660ac31 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3W3_VF_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -536,7 +552,7 @@ nb_kernel_ElecCoul_VdwBham_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*282); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW3W3_F_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c index 03af0bb325..e35d580f27 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -367,7 +383,7 @@ nb_kernel_ElecCoul_VdwBham_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*145); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c index 8274b81a55..eaaeddeb91 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4W4_VF_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -583,7 +599,7 @@ nb_kernel_ElecCoul_VdwBham_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*304); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwBham_GeomW4W4_F_c * Electrostatics interaction: Coulomb * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c index 7c2f3afa42..8bf326d9d4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Particle-Particle @@ -251,7 +267,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*62); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c index c1bcc9dcc5..0de12f4d0a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water3-Particle @@ -352,7 +368,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*118); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c index c35520ac70..c32db42739 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 @@ -564,7 +580,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*277); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c index 1db36d0d53..9cf9462130 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water4-Particle @@ -394,7 +410,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*139); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c index d921bcad81..135e7372d4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 @@ -610,7 +626,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*298); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_c * Electrostatics interaction: Coulomb * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c index f256bcf67d..368847cc9c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -220,7 +236,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*40); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c index a04f56e5cb..bc4b37d64f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -321,7 +337,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*96); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c index fdbe63fa14..c1faf2f64c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -533,7 +549,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*255); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c index a51c687f0a..293e6f350d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -363,7 +379,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*116); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c index b78968cf7c..c5856ec4f9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -579,7 +595,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*275); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_c * Electrostatics interaction: Coulomb * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c index 36bef38c2e..0df445951d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Particle-Particle @@ -198,7 +214,7 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*14 + inneriter*28); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3P1_c.c index 892270f471..82ff39f112 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water3-Particle @@ -299,7 +315,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3_VF,outeriter*31 + inneriter*84); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c index 81b1831ffd..78fbf03ff9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water3-Water3 @@ -511,7 +527,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3W3_VF,outeriter*31 + inneriter*243); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c index ebb7ac0ebf..abe8b961d6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water4-Particle @@ -299,7 +315,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*31 + inneriter*84); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c index cb255fc20a..a6a105f62d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water4-Water4 @@ -511,7 +527,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4W4_VF,outeriter*31 + inneriter*243); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_c * Electrostatics interaction: Coulomb * VdW interaction: None * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c index 16f6b234c2..f165ded3de 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -250,7 +266,7 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*111); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c index 956f68d0c4..8522dbfec7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -379,7 +395,7 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*195); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c index 249d2b893e..02384094b0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -675,7 +691,7 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*438); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c index c3619b7024..e8c14d2e89 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -429,7 +445,7 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*218); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c index bfe65ef78d..5dd8d75395 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -729,7 +745,7 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*461); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c index 88c102fcb2..c169c27711 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -249,7 +265,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*59); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c index 6cd740fd70..88fa515cbf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -378,7 +394,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*143); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c index 9cdb942978..ceda73c5ff 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -674,7 +690,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*386); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c index 3e872574b0..a5e597481e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -425,7 +441,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*163); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c index 2cb43bdc6c..2b1159f22d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -725,7 +741,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*406); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_c.c index 664442fb63..8a36d8f24c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Particle-Particle @@ -224,7 +240,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*14 + inneriter*42); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_c.c index ab8259cdb3..a6a87aecb1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Particle @@ -353,7 +369,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3_VF,outeriter*31 + inneriter*126); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c index ff0122b249..ffa38841e9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Water3 @@ -649,7 +665,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3W3_VF,outeriter*31 + inneriter*369); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c index e760e22700..a2e8950270 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Particle @@ -353,7 +369,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*31 + inneriter*126); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c index 6565b71966..08760a8257 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Water4 @@ -649,7 +665,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4W4_VF,outeriter*31 + inneriter*369); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_c.c index a6355fc02f..3620e10809 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -272,7 +288,7 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*101); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_c.c index 929fcb3c74..939232dd3e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -425,7 +441,7 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*219); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_c.c index d81ba8230b..5840da525c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -793,7 +809,7 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*564); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c index a74856f513..69956345a5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -485,7 +501,7 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*256); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c index 72efffe030..f441e8cc3b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -857,7 +873,7 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*601); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_c.c index 2778e51c27..87cdf1b74e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -271,7 +287,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*75); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_c.c index 6b8bb55c35..cee207de3d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -424,7 +440,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*193); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c index c3127b11b4..50093bb36b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -792,7 +808,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*538); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c index 4c67fca85e..fb7bcb33dc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -484,7 +500,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*230); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_c.c index 002b30d61a..df2cde8d29 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -856,7 +872,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*575); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_c.c index e9064bdcb6..ca8b128744 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Particle-Particle @@ -247,7 +263,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*14 + inneriter*59); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_c.c index 88c5b565aa..50a839e327 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Particle @@ -400,7 +416,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3_VF,outeriter*31 + inneriter*177); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_c.c index 0ee3689742..6aeb7bcfac 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Water3 @@ -768,7 +784,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3W3_VF,outeriter*31 + inneriter*522); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_c.c index e366295f00..47a81dd134 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Particle @@ -400,7 +416,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*31 + inneriter*177); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_c.c index 9aaf4b804f..c74e213dfb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Water4 @@ -768,7 +784,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4W4_VF,outeriter*31 + inneriter*522); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomP1P1_c.c index a04671ae87..c88a754aad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -238,7 +254,7 @@ nb_kernel_ElecEw_VdwBham_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*79); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3P1_c.c index 92aef65c83..bf4b798973 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -357,7 +373,7 @@ nb_kernel_ElecEw_VdwBham_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*161); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3W3_c.c index 984892f8e3..feeee344b1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -623,7 +639,7 @@ nb_kernel_ElecEw_VdwBham_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*398); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4P1_c.c index ff5f2801ef..319901a469 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -402,7 +418,7 @@ nb_kernel_ElecEw_VdwBham_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*184); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4W4_c.c index 1757d4414d..5c7bd6c387 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -672,7 +688,7 @@ nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*421); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_c.c index ef19e9830a..f84e0307b3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Particle-Particle @@ -266,7 +282,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*74); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_c.c index c29e4cd473..8320dcc3de 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water3-Particle @@ -385,7 +401,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*156); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_c.c index bfa6515153..e7d1de38c3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 @@ -651,7 +667,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*393); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_c.c index 147fcda246..186088fc47 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water4-Particle @@ -429,7 +445,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*178); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_c.c index ad06f44dcb..bb75e095f4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 @@ -699,7 +715,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*415); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomP1P1_c.c index 83beeaf6ef..02b3cc91dc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -237,7 +253,7 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*53); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3P1_c.c index 053a2f3c56..ee8527f490 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -356,7 +372,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*135); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3W3_c.c index 0697581338..b384b73742 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -622,7 +638,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*372); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4P1_c.c index 3c912edee2..25a8bd3ac0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -398,7 +414,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*155); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4W4_c.c index 0079058158..0eb32ced1f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -668,7 +684,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*392); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomP1P1_c.c index dcb565351e..0b91d8342c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Particle-Particle @@ -215,7 +231,7 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*14 + inneriter*41); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomP1P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3P1_c.c index 161a3352cf..9b09127789 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Particle @@ -334,7 +350,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3_VF,outeriter*31 + inneriter*123); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3W3_c.c index 3e9e4ecde5..0656f59968 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Water3 @@ -600,7 +616,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3W3_VF,outeriter*31 + inneriter*360); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW3W3_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4P1_c.c index c6904776e0..860b2efc08 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Particle @@ -334,7 +350,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*31 + inneriter*123); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4P1_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4W4_c.c index 035931c623..d8e673af3c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Water4 @@ -600,7 +616,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4W4_VF,outeriter*31 + inneriter*360); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomW4W4_F_c * Electrostatics interaction: Ewald * VdW interaction: None * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c index 46f83c13eb..406743bbd3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwBham_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwBham_GeomP1P1_VF_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -268,7 +284,7 @@ nb_kernel_ElecGB_VdwBham_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*16 + inneriter*97); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwBham_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwBham_GeomP1P1_F_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c index f75f104ad7..85ab145810 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: CubicSplineTable * Geometry: Particle-Particle @@ -291,7 +307,7 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*16 + inneriter*91); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: CubicSplineTable * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c index 23ba2990df..553824cb7e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -267,7 +283,7 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*16 + inneriter*71); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c index 40fc35d61c..abbdc80e5e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: None * Geometry: Particle-Particle @@ -243,7 +259,7 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*15 + inneriter*58); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecGB_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecGB_VdwNone_GeomP1P1_F_c * Electrostatics interaction: GeneralizedBorn * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_c.c index 97ce5781f2..cdacc21362 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_VF_c * Electrostatics interaction: None * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -220,7 +236,7 @@ nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_VDW_VF,outeriter*13 + inneriter*92); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c * Electrostatics interaction: None * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_c.c index e3c51cf0a0..27eaea3db3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c * Electrostatics interaction: None * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -240,7 +256,7 @@ nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_VDW_VF,outeriter*13 + inneriter*79); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c * Electrostatics interaction: None * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBham_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBham_GeomP1P1_c.c index 434429e519..217e875a30 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBham_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBham_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwBham_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwBham_GeomP1P1_VF_c * Electrostatics interaction: None * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -209,7 +225,7 @@ nb_kernel_ElecNone_VdwBham_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_VDW_VF,outeriter*13 + inneriter*61); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwBham_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwBham_GeomP1P1_F_c * Electrostatics interaction: None * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_c.c index 9d7f4889fe..2fad651d46 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_c * Electrostatics interaction: None * VdW interaction: CubicSplineTable * Geometry: Particle-Particle @@ -235,7 +251,7 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_VDW_VF,outeriter*13 + inneriter*55); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_c * Electrostatics interaction: None * VdW interaction: CubicSplineTable * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_c.c index d5b5b1d61f..2f481ea961 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c * Electrostatics interaction: None * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -215,7 +231,7 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_VDW_VF,outeriter*13 + inneriter*37); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_c * Electrostatics interaction: None * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_c.c index 752e34d113..39259b993e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_c * Electrostatics interaction: None * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -239,7 +255,7 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_VDW_VF,outeriter*13 + inneriter*53); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_c * Electrostatics interaction: None * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJ_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJ_GeomP1P1_c.c index 2e75940126..10ff303999 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJ_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJ_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c * Electrostatics interaction: None * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -204,7 +220,7 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_VDW_VF,outeriter*13 + inneriter*32); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c * Electrostatics interaction: None * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_c.c index 742e1230c7..25907aac4c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -238,7 +254,7 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*102); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_c.c index 90d7032298..bb57939e93 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -349,7 +365,7 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*166); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_c.c index 83d23be997..441da862d5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -591,7 +607,7 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*349); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_c.c index 82357426f9..4124b9f3a7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -397,7 +413,7 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*188); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_c.c index b93632a8a2..650aea2004 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -643,7 +659,7 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*371); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_c.c index f2e61892c7..e0580b47ad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -258,7 +274,7 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*89); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_c.c index dc0fddcfa5..5eb37f558b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -369,7 +385,7 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*153); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_c.c index eb8408153b..9654381354 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -611,7 +627,7 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*336); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_c.c index 6857a6d598..4ce320d8ce 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -417,7 +433,7 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*175); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_c.c index f962423657..b817c72747 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -663,7 +679,7 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*358); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_c.c index 93b7f50ab0..1739b80990 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Particle-Particle @@ -263,7 +279,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*66); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_c.c index 8c8900e970..d51b25c368 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Particle @@ -374,7 +390,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*130); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_c.c index ebe7f3c5a0..954d5111c5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 @@ -616,7 +632,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*313); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_c.c index dc2c68ca4b..dff1bb9dda 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Particle @@ -416,7 +432,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*151); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c index 4345ef3ef0..b3f6ae664f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 @@ -667,7 +683,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*334); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_c.c index 396f264b55..bdad2d63f7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -235,7 +251,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*49); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_c.c index 41e87fd5e0..f33a02b109 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -346,7 +362,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*113); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_c.c index c7d255b55a..e066712dcd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -588,7 +604,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*296); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_c.c index 3a290c409c..94a3ad1f71 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -393,7 +409,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*133); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_c.c index 7d23b9f99c..d6a97bc122 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -639,7 +655,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*316); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_c.c index 23d17b41ad..25007b57ed 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -257,7 +273,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*63); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_c.c index ba5456d9e0..bdc887e940 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -368,7 +384,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*127); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_c.c index 8900cbc2b7..3c20661a97 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -610,7 +626,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*310); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_c.c index c8d861e7d8..1083c3c795 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -416,7 +432,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*149); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_c.c index 8aed769631..5970333a11 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -662,7 +678,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*332); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_c.c index b200f3ae73..a9b1c0e9f7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Particle-Particle @@ -210,7 +226,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*14 + inneriter*32); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_c.c index c53d9648a5..e79dd462e4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Particle @@ -321,7 +337,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3_VF,outeriter*31 + inneriter*96); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_c.c index 8c8af55973..89c38f163f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Water3 @@ -563,7 +579,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3W3_VF,outeriter*31 + inneriter*279); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_c.c index e8a4b2c54d..ae047cbba4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Particle @@ -321,7 +337,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*31 + inneriter*96); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_c.c index 4f6c8d7e87..a5e100b857 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Water4 @@ -563,7 +579,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4W4_VF,outeriter*31 + inneriter*279); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomP1P1_c.c index 3af1e9de4d..d0bb0af5db 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Particle-Particle @@ -226,7 +242,7 @@ nb_kernel_ElecRF_VdwBham_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*71); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3P1_c.c index e59218cdbf..879eb45a31 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Particle @@ -327,7 +343,7 @@ nb_kernel_ElecRF_VdwBham_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*135); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3W3_c.c index 848ef5c8c7..30b1ea208c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Water3 @@ -539,7 +555,7 @@ nb_kernel_ElecRF_VdwBham_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*318); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4P1_c.c index c45c40862c..b7880707d5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Particle @@ -370,7 +386,7 @@ nb_kernel_ElecRF_VdwBham_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*157); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4W4_c.c index 4ec58cccc2..0e43882f6c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Water4 @@ -586,7 +602,7 @@ nb_kernel_ElecRF_VdwBham_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*340); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwBham_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: Buckingham * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_c.c index 99470a0362..1ebac57b85 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Particle-Particle @@ -254,7 +270,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*66); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_c.c index 12abe865ea..668213c1b0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Particle @@ -355,7 +371,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*130); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_c.c index 18ed0d7662..8e31dee8a3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 @@ -567,7 +583,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*313); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_c.c index 73ee6bb799..0c99d64603 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Particle @@ -397,7 +413,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*151); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_c.c index 72a31fef94..156051c78d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 @@ -613,7 +629,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*334); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: CubicSplineTable * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomP1P1_c.c index ca7e9b87cf..4bf340605b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Particle-Particle @@ -223,7 +239,7 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_VF,outeriter*15 + inneriter*44); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3P1_c.c index 90fb09b8e3..cd409511cc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Particle @@ -324,7 +340,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3_VF,outeriter*32 + inneriter*108); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3W3_c.c index 0e3f3d1ee3..11e0c69c9b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Water3 @@ -536,7 +552,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W3W3_VF,outeriter*32 + inneriter*291); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4P1_c.c index 6cd471918f..db8e5f5b4e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Particle @@ -366,7 +382,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4_VF,outeriter*41 + inneriter*128); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4W4_c.c index 5c90acb008..fa2e369699 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Water4 @@ -582,7 +598,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VDW_W4W4_VF,outeriter*41 + inneriter*311); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: LennardJones * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomP1P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomP1P1_c.c index 2f74aea88a..878b7b2d4e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomP1P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomP1P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Particle-Particle @@ -201,7 +217,7 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*14 + inneriter*32); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomP1P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomP1P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Particle-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3P1_c.c index ea3ce8bd05..d76f53ca10 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Particle @@ -302,7 +318,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3_VF,outeriter*31 + inneriter*96); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3W3_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3W3_c.c index d8ae0cc2a5..803bf538b3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3W3_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3W3_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Water3 @@ -514,7 +530,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W3W3_VF,outeriter*31 + inneriter*279); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3W3_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW3W3_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water3-Water3 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4P1_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4P1_c.c index 9208f9f3c3..d305f2ea4f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4P1_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4P1_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Particle @@ -302,7 +318,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*31 + inneriter*96); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4P1_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4P1_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Particle diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4W4_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4W4_c.c index 0a198f8e19..2b1c12c407 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4W4_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4W4_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -31,7 +47,7 @@ #include "nrnb.h" /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Water4 @@ -514,7 +530,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_c inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4W4_VF,outeriter*31 + inneriter*279); } /* - * Gromacs nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4W4_F_c + * GROMACS nonbonded kernel: nb_kernel_ElecRF_VdwNone_GeomW4W4_F_c * Electrostatics interaction: ReactionField * VdW interaction: None * Geometry: Water4-Water4 diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c index 25dbb9c075..07f4200642 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c @@ -1,31 +1,38 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.h b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.h index 950a316faf..6bd4ca3884 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.h +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #ifndef _NB_KERNEL_ALLVSALL_H #define _NB_KERNEL_ALLVSALL_H diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c index 0709b7fd57..a761a9692c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c @@ -1,31 +1,38 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.h b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.h index 2c3ea9194e..a4eb4634c7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.h +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #ifndef _NB_KERNEL_ALLVSALLGB_H #define _NB_KERNEL_ALLVSALLGB_H diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c index c33cadd829..c16045f142 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS c kernel generator. */ #ifndef nb_kernel_c_h #define nb_kernel_c_h diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.h b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.h index 8aacf2bb70..3caffa729a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.h +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.h @@ -1,23 +1,37 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2001-2012, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef nb_kernel_c_h #define nb_kernel_c_h diff --git a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre index 9539aea211..af7ccc45b5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre +++ b/src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre @@ -1,5 +1,39 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ -#error This file must be processed with the Gromacs pre-preprocessor +#error This file must be processed with the GROMACS pre-preprocessor /* #endif */ /* #if INCLUDE_HEADER */ #ifdef HAVE_CONFIG_H @@ -72,7 +106,7 @@ /* #endif */ /* - * Gromacs nonbonded kernel: {KERNEL_NAME} + * GROMACS nonbonded kernel: {KERNEL_NAME} * Electrostatics interaction: {KERNEL_ELEC} * VdW interaction: {KERNEL_VDW} * Geometry: {GEOMETRY_I}-{GEOMETRY_J} diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/make_nb_kernel_sse2_double.py b/src/gmxlib/nonbonded/nb_kernel_sse2_double/make_nb_kernel_sse2_double.py index 98541ff404..6b7f0d2834 100755 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/make_nb_kernel_sse2_double.py +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/make_nb_kernel_sse2_double.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'sse2_double' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_double.c index 2d5eb1e3b8..9fb8490c17 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -150,11 +166,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -263,7 +279,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -405,7 +421,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -501,11 +517,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -603,7 +619,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_double.c index f7b014a8fd..88e1160d8d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -166,11 +182,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -393,7 +409,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -655,7 +671,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -767,11 +783,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -973,7 +989,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_double.c index 4d2c8920fa..73a5582679 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -192,11 +208,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -709,7 +725,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1281,7 +1297,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1419,11 +1435,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1885,7 +1901,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_double.c index bed606b7a3..6dfc656fe6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -172,11 +188,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -436,7 +452,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -737,7 +753,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -855,11 +871,11 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1096,7 +1112,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_double.c index 023e63a9ba..253d064473 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -200,12 +216,12 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -757,7 +773,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1369,7 +1385,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1515,12 +1531,12 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -2019,7 +2035,7 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_double.c index 944d5487cb..ea8b0bff57 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -150,11 +166,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -241,7 +257,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -361,7 +377,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -457,11 +473,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -539,7 +555,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_double.c index 949600111a..9afb5a233a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -166,11 +182,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -371,7 +387,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -611,7 +627,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -723,11 +739,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -909,7 +925,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_double.c index 4bf51a6a8f..5e26f33e39 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -192,11 +208,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -687,7 +703,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1237,7 +1253,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1375,11 +1391,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1821,7 +1837,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_double.c index 4c9d79ad11..836709dcf4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -172,11 +188,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -405,7 +421,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -675,7 +691,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -793,11 +809,11 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1005,7 +1021,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_double.c index e36875e3d5..72d5b61ee3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -200,12 +216,12 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -726,7 +742,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1307,7 +1323,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1453,12 +1469,12 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1928,7 +1944,7 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_double.c index 5b36f71530..d49b206110 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -139,11 +155,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -215,7 +231,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -320,7 +336,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -406,11 +422,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -477,7 +493,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_double.c index ad39a5e83e..e1e930b9bd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -155,11 +171,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -345,7 +361,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -570,7 +586,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -672,11 +688,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -847,7 +863,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_double.c index 2328f15061..2114ae27cc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -178,11 +194,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -662,7 +678,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1199,7 +1215,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1324,11 +1340,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1763,7 +1779,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_double.c index b93d714268..d250042122 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -155,11 +171,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -345,7 +361,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -570,7 +586,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -672,11 +688,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -847,7 +863,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_double.c index 4e153a97fd..69016b5447 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -178,11 +194,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -662,7 +678,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1199,7 +1215,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1324,11 +1340,11 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1763,7 +1779,7 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_double.c index b8304ffa64..de2242b676 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -150,11 +166,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -254,7 +270,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -387,7 +403,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -483,11 +499,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -578,7 +594,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_double.c index 18ae36efdf..4ba085597e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -166,11 +182,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -350,7 +366,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -569,7 +585,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -681,11 +697,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -850,7 +866,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_double.c index 28f7891b7b..0bce7c4a71 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -192,11 +208,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -564,7 +580,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -991,7 +1007,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1129,11 +1145,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1468,7 +1484,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_double.c index 3f48917e50..678aaa68c6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -172,11 +188,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -385,7 +401,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -635,7 +651,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -753,11 +769,11 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -949,7 +965,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_double.c index 4596733648..2cc7409146 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -200,12 +216,12 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -604,7 +620,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1063,7 +1079,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1209,12 +1225,12 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1578,7 +1594,7 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_double.c index 363cdb7963..d30e9575de 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -143,11 +159,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -216,7 +232,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -318,7 +334,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -407,11 +423,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -473,7 +489,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_double.c index ac7c5b8465..35a731a518 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -159,11 +175,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -312,7 +328,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -500,7 +516,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -605,11 +621,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -745,7 +761,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_double.c index f969c321a3..535a8fc2a4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -185,11 +201,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -526,7 +542,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -922,7 +938,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1053,11 +1069,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1363,7 +1379,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_double.c index 778be9fa13..cfaa6b2ca8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -165,11 +181,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -347,7 +363,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -566,7 +582,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -677,11 +693,11 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -844,7 +860,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_double.c index 314ceccb77..8e41f83f04 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -193,12 +209,12 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -566,7 +582,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -994,7 +1010,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1133,12 +1149,12 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1473,7 +1489,7 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_double.c index e54dd63850..a5b5de4eed 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -132,11 +148,11 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -192,7 +208,7 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -281,7 +297,7 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -360,11 +376,11 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -417,7 +433,7 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_double.c index 605cd895e2..4573ce9aef 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -148,11 +164,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -288,7 +304,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -463,7 +479,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -558,11 +574,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -689,7 +705,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_double.c index 1f03379859..9993352b59 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -171,11 +187,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -503,7 +519,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -888,7 +904,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1006,11 +1022,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1311,7 +1327,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_double.c index 5fac7d47e6..76af0c5ec6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -148,11 +164,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -288,7 +304,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -463,7 +479,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -558,11 +574,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -689,7 +705,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_double.c index cf46230577..4a8d441b75 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -171,11 +187,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -503,7 +519,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -888,7 +904,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1006,11 +1022,11 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1311,7 +1327,7 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_double.c index 8bed655b59..fde2f03432 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -159,11 +175,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -260,7 +276,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -390,7 +406,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -495,11 +511,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -579,7 +595,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_double.c index 24499eeca6..ca40451ee0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -175,11 +191,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -408,7 +424,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -676,7 +692,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -797,11 +813,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -991,7 +1007,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_double.c index b498e5d613..fb7b86e9bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -201,11 +217,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -778,7 +794,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1410,7 +1426,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1557,11 +1573,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -2029,7 +2045,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_double.c index 54abcdfebd..99715037bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -181,11 +197,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -452,7 +468,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -760,7 +776,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -887,11 +903,11 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1117,7 +1133,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_double.c index 855229d1d7..4f981a283e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -209,12 +225,12 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -827,7 +843,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1500,7 +1516,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1655,12 +1671,12 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -2166,7 +2182,7 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_double.c index d41573bfc5..51edbbd2e7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -145,11 +161,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -231,7 +247,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -346,7 +362,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -438,11 +454,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -513,7 +529,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_double.c index 8bd73156d0..869a0251ed 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -161,11 +177,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -379,7 +395,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -632,7 +648,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -740,11 +756,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -925,7 +941,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_double.c index a36f307132..e80b180384 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -184,11 +200,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -750,7 +766,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1369,7 +1385,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1500,11 +1516,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1967,7 +1983,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_double.c index 8729a32d07..bf03b3c2b1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -161,11 +177,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -379,7 +395,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -632,7 +648,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -740,11 +756,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -925,7 +941,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_double.c index 4e099092e5..1daa315e50 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -184,11 +200,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -750,7 +766,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1369,7 +1385,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1500,11 +1516,11 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1967,7 +1983,7 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_double.c index fe40ad0999..0eebcaf9d1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -170,11 +186,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -283,7 +299,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -425,7 +441,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -541,11 +557,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -646,7 +662,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_double.c index e8e7d72a02..69fc1b2894 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -186,11 +202,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -453,7 +469,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -755,7 +771,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -887,11 +903,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1136,7 +1152,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_double.c index 8e8314e777..6546c37a6f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -212,11 +228,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -889,7 +905,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1621,7 +1637,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1779,11 +1795,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -2408,7 +2424,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_double.c index b9af3c8d6a..cfb3269820 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -192,11 +208,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -509,7 +525,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -863,7 +879,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1001,11 +1017,11 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1298,7 +1314,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_double.c index fded3a02cf..e7042b9c6f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -220,12 +236,12 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -950,7 +966,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1735,7 +1751,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1901,12 +1917,12 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -2581,7 +2597,7 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_double.c index 0c7cb9a38c..fa24231bb2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -159,11 +175,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -256,7 +272,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -382,7 +398,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -488,11 +504,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -580,7 +596,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_double.c index 18574d8d00..1b1fe725aa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -175,11 +191,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -426,7 +442,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -712,7 +728,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -834,11 +850,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1070,7 +1086,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_double.c index a7fbc63842..812c973ade 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -198,11 +214,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -863,7 +879,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1581,7 +1597,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1726,11 +1742,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -2346,7 +2362,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_double.c index b4567e55a2..de3fb3309c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -175,11 +191,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -426,7 +442,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -712,7 +728,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -834,11 +850,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -1070,7 +1086,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_double.c index bedf4c77a6..d383ca36cd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -198,11 +214,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -863,7 +879,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1581,7 +1597,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1726,11 +1742,11 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -2346,7 +2362,7 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_double.c index 9f687d623e..de4ac2770b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -158,11 +174,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -276,7 +292,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -423,7 +439,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -527,11 +543,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -629,7 +645,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_double.c index bca9f01340..8d1dc5ffaa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -174,11 +190,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -404,7 +420,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -669,7 +685,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -789,11 +805,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -983,7 +999,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_double.c index 9d38f68fc3..bf90a0176f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -200,11 +216,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -714,7 +730,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1283,7 +1299,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1429,11 +1445,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1847,7 +1863,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_double.c index 31406cb146..e7341c3602 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -180,11 +196,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -441,7 +457,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -739,7 +755,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -865,11 +881,11 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1088,7 +1104,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_double.c index f5d50a6d05..b9281c7b53 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -208,12 +224,12 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -756,7 +772,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1359,7 +1375,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1513,12 +1529,12 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1963,7 +1979,7 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_double.c index 1f90a68460..0510f80e64 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -151,11 +167,11 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -240,7 +256,7 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -358,7 +374,7 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -455,11 +471,11 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -530,7 +546,7 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_double.c index e3a0fc817c..956bd0119d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -167,11 +183,11 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -368,7 +384,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -604,7 +620,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -717,11 +733,11 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -884,7 +900,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_double.c index af4c2b51a5..8187db0a6f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -193,11 +209,11 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -678,7 +694,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1218,7 +1234,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1357,11 +1373,11 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1748,7 +1764,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_double.c index f62b4651e5..8e544ffa62 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -173,11 +189,11 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -403,7 +419,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -670,7 +686,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -789,11 +805,11 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -983,7 +999,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_double.c index d2d6b1466d..f386790100 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -201,12 +217,12 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -718,7 +734,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1290,7 +1306,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1437,12 +1453,12 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1858,7 +1874,7 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_double.c index 7d170ef522..7e7850fb35 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -140,11 +156,11 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -216,7 +232,7 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -321,7 +337,7 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -408,11 +424,11 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -474,7 +490,7 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_double.c index c79090db3f..5c4dd417dc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -156,11 +172,11 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -344,7 +360,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -567,7 +583,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -670,11 +686,11 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -828,7 +844,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_double.c index bf9e6c43a3..b299b53cad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -179,11 +195,11 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -655,7 +671,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1184,7 +1200,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1310,11 +1326,11 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1696,7 +1712,7 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_double.c index 9bdef9064b..a3a4e2fef1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -156,11 +172,11 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -344,7 +360,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -567,7 +583,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -670,11 +686,11 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -828,7 +844,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_double.c index f36548b044..2a9651b82f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -179,11 +195,11 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -655,7 +671,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1184,7 +1200,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1310,11 +1326,11 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1696,7 +1712,7 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_double.c index a18d1c1849..551f205a34 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -163,11 +179,11 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -295,7 +311,7 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -460,7 +476,7 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -569,11 +585,11 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -691,7 +707,7 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_double.c index 2c6fa36468..32ef729f1a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -160,11 +176,11 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -265,7 +281,7 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -403,7 +419,7 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -509,11 +525,11 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -606,7 +622,7 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_double.c index 830d40a2f0..6adfa8ed87 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -149,11 +165,11 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -239,7 +255,7 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -362,7 +378,7 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -458,11 +474,11 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -544,7 +560,7 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_double.c index 2df4cc6282..88a1ed5bae 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -144,11 +160,11 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -239,7 +255,7 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -361,7 +377,7 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -452,11 +468,11 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -539,7 +555,7 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_double.c index 5d64d9e4ba..32d12f7174 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -144,11 +160,11 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -219,7 +235,7 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -321,7 +337,7 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -412,11 +428,11 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -479,7 +495,7 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_double.c index 0850a39b4c..5f9e31102f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -155,11 +171,11 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -244,7 +260,7 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -360,7 +376,7 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -462,11 +478,11 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -546,7 +562,7 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_double.c index 4677e6b98d..6e54ac8a4d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -137,11 +153,11 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -201,7 +217,7 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -292,7 +308,7 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -376,11 +392,11 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -434,7 +450,7 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_double.c index b568ab249a..43659921fd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -158,11 +174,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -273,7 +289,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -417,7 +433,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -521,11 +537,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -624,7 +640,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_double.c index 1621fc2eda..a988921031 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -174,11 +190,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -389,7 +405,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -639,7 +655,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -759,11 +775,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -952,7 +968,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_double.c index 1c85bcd2f3..b3e64555b5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -200,11 +216,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -663,7 +679,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1181,7 +1197,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1327,11 +1343,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1738,7 +1754,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_double.c index 7a35199213..42667ae734 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -180,11 +196,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -423,7 +439,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -703,7 +719,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -829,11 +845,11 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1049,7 +1065,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_double.c index fccf408ec3..669c2f7a5f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -208,12 +224,12 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -702,7 +718,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1251,7 +1267,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1405,12 +1421,12 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1846,7 +1862,7 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_double.c index 7de89b608c..5863c077c2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -154,11 +170,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -239,7 +255,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -353,7 +369,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -453,11 +469,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -527,7 +543,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_double.c index 60a5faa9c6..f1e2d7ae19 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -170,11 +186,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -355,7 +371,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -575,7 +591,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -691,11 +707,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -855,7 +871,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_double.c index 7964be7745..c9790f31f2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -196,11 +212,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -629,7 +645,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1117,7 +1133,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1259,11 +1275,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1641,7 +1657,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_double.c index f965475ae0..092d187cf1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -176,11 +192,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -399,7 +415,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -659,7 +675,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -781,11 +797,11 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -981,7 +997,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_double.c index 3fbb19a7c5..7394648bf0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -204,12 +220,12 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -678,7 +694,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1207,7 +1223,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1357,12 +1373,12 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1778,7 +1794,7 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_double.c index f30c46d1f9..bb59069828 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -165,11 +181,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -262,7 +278,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -388,7 +404,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -499,11 +515,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -588,7 +604,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_double.c index decf0bb972..9e0269ea4c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -181,11 +197,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -378,7 +394,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -610,7 +626,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -737,11 +753,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -916,7 +932,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_double.c index b3302e61ce..1355675fc3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -207,11 +223,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -652,7 +668,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1152,7 +1168,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1305,11 +1321,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1702,7 +1718,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_double.c index 97eb1b5f85..608a5ff8b7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -187,11 +203,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -423,7 +439,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -696,7 +712,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -829,11 +845,11 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1045,7 +1061,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_double.c index 83a0dc3619..6a532f7203 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -215,12 +231,12 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -702,7 +718,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1244,7 +1260,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1405,12 +1421,12 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1842,7 +1858,7 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_double.c index 019d329720..602f0e9851 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -140,11 +156,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -210,7 +226,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -309,7 +325,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -396,11 +412,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -461,7 +477,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_double.c index 80ea7b5332..8f0e724018 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -156,11 +172,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -326,7 +342,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -531,7 +547,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -634,11 +650,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -789,7 +805,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_double.c index 3a75f85090..c68aa90673 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -179,11 +195,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -601,7 +617,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1076,7 +1092,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1202,11 +1218,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1579,7 +1595,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_double.c index 7198549eae..4a1a2b7cff 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -156,11 +172,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -326,7 +342,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -531,7 +547,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -634,11 +650,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -789,7 +805,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_double.c index 11c1e78575..8f9774bc84 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -179,11 +195,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -601,7 +617,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1076,7 +1092,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1202,11 +1218,11 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1579,7 +1595,7 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_double.c index 27c7016096..22f4da39a8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -153,11 +169,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -257,7 +273,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -390,7 +406,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -489,11 +505,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -583,7 +599,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_double.c index 3109d42f3e..e2b42c5abd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -169,11 +185,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -353,7 +369,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -572,7 +588,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -687,11 +703,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -853,7 +869,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_double.c index 9951dfcbd7..0c37a0214c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -195,11 +211,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -567,7 +583,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -994,7 +1010,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1135,11 +1151,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1465,7 +1481,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_double.c index ff83b17992..5b3f5635d3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -175,11 +191,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -388,7 +404,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -638,7 +654,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -759,11 +775,11 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -952,7 +968,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_double.c index 9ff8ae9d1d..6e9e3b1c2f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -203,12 +219,12 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -607,7 +623,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1066,7 +1082,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1215,12 +1231,12 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1575,7 +1591,7 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_double.c index 4f3444c7cc..5af31f65b0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -146,11 +162,11 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -219,7 +235,7 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -321,7 +337,7 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -413,11 +429,11 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -478,7 +494,7 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_double.c index e818b9f3ae..e787d3626f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -162,11 +178,11 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -315,7 +331,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -503,7 +519,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -611,11 +627,11 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -748,7 +764,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_double.c index abdb68e7be..d4832d3247 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -188,11 +204,11 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -529,7 +545,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -925,7 +941,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1059,11 +1075,11 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1360,7 +1376,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_double.c index 4894056abe..f221126a0a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -168,11 +184,11 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -350,7 +366,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -569,7 +585,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -683,11 +699,11 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -847,7 +863,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_double.c index 0a1088a729..1355294257 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -196,12 +212,12 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -569,7 +585,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -997,7 +1013,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1139,12 +1155,12 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_4rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1470,7 +1486,7 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_sse2_double gmx_mm_load_4rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2, &jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_double.c index bd2b1b710b..c44dfc2969 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -135,11 +151,11 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -195,7 +211,7 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -284,7 +300,7 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -366,11 +382,11 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -422,7 +438,7 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_double.c index 4e7b0f6572..a264f13a3c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -151,11 +167,11 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -291,7 +307,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -466,7 +482,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -564,11 +580,11 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -692,7 +708,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_double.c index cb74baef1b..68b62d01ed 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -174,11 +190,11 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -506,7 +522,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -891,7 +907,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1012,11 +1028,11 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); @@ -1308,7 +1324,7 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0,&jx1,&jy1,&jz1,&jx2,&jy2,&jz2); - + /* Calculate displacement vector */ dx00 = _mm_sub_pd(ix0,jx0); dy00 = _mm_sub_pd(iy0,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_double.c index 1967301958..f106d1fb05 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -151,11 +167,11 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -291,7 +307,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -466,7 +482,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -564,11 +580,11 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); @@ -692,7 +708,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_F_sse2_double /* load j atom coordinates */ gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA, &jx0,&jy0,&jz0); - + /* Calculate displacement vector */ dx10 = _mm_sub_pd(ix1,jx0); dy10 = _mm_sub_pd(iy1,jy0); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_double.c index bd7b5fd5b3..e38a0019f3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -50,7 +66,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -174,11 +190,11 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -506,7 +522,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -891,7 +907,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_F_sse2_double nb_kernel_data_t * gmx_restrict kernel_data, t_nrnb * gmx_restrict nrnb) { - /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or + /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different * jnr indices corresponding to data put in the four positions in the SIMD register. @@ -1012,11 +1028,11 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_F_sse2_double jnrB = jjnr[jidx+1]; j_coord_offsetA = DIM*jnrA; j_coord_offsetB = DIM*jnrB; - + /* load j atom coordinates */ gmx_mm_load_3rvec_2ptr_swizzle_pd(x+j_coord_offsetA+DIM,x+j_coord_offsetB+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); @@ -1308,7 +1324,7 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_F_sse2_double /* load j atom coordinates */ gmx_mm_load_3rvec_1ptr_swizzle_pd(x+j_coord_offsetA+DIM, &jx1,&jy1,&jz1,&jx2,&jy2,&jz2,&jx3,&jy3,&jz3); - + /* Calculate displacement vector */ dx11 = _mm_sub_pd(ix1,jx1); dy11 = _mm_sub_pd(iy1,jy1); diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_sse2_double.c b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_sse2_double.c index 95a7ef2f7c..f3f43d58ad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_sse2_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_sse2_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_double kernel generator. */ #ifndef nb_kernel_sse2_double_h #define nb_kernel_sse2_double_h diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_template_sse2_double.pre b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_template_sse2_double.pre index 4bf5952cba..968cf64f00 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_template_sse2_double.pre +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_template_sse2_double.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h b/src/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h index e0b324f582..8174970457 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h @@ -1,30 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 2011-2012, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _kernelutil_x86_sse2_single_h_ #define _kernelutil_x86_sse2_single_h_ diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/make_nb_kernel_sse2_single.py b/src/gmxlib/nonbonded/nb_kernel_sse2_single/make_nb_kernel_sse2_single.py index d810bde489..fe15e4e81f 100755 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/make_nb_kernel_sse2_single.py +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/make_nb_kernel_sse2_single.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'sse2_single' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_single.c index fe8a6e2aeb..c4b5e7585e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_single.c index 778ea8f199..f3f9e562cd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_single.c index 8c1477cfb7..010942ce53 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_single.c index 6901107512..d1d0309be1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_single.c index 069332d675..bb333e7890 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_single.c index 38a726739e..0002e0ce15 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_single.c index 33ead05279..ef21982417 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_single.c index 956ba2f519..a714f533c2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_single.c index 4b688b915c..6709f6df59 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_single.c index da9c380731..a456c84a16 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_single.c index aa0ea2cdf7..0574e0a0c0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_single.c index 541592778a..bab7195b91 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_single.c index 28bd11dee0..f1c4adb961 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_single.c index 01d4d6a004..e7f059a566 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_single.c index b9b1463893..17f0b2f084 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_single.c index 70dfd6e52f..8f826d8ccc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_single.c index 9c98ce728e..43e055fbe1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_single.c index bef3ecb22e..e2602a2a0e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_single.c index 4977b64aec..853100da64 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_single.c index 54cbac3987..b3f5d8148d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_single.c index 7c2ec82af5..673b5c34f7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_single.c index c8d647153c..f640055bb2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_single.c index 44ebfa13d9..25b3e20246 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_single.c index 5eddc72b28..2b30eab8dc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_single.c index 1188b30777..922653e096 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_single.c index 6e2bfaec8b..677574bde2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_single.c index d1499f64cd..44726fe8a6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_single.c index a2f2549a8e..307498c43a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_single.c index aec1f421a2..c2bc9dc2d6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_single.c index 9f5f1ff657..0ef3e14386 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_single.c index 2a28fac51d..aa4a922233 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_single.c index 19ba8e55ce..aa404d8011 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_single.c index 7f82e4e639..654230d88a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_single.c index fe49ea2b61..491be4d689 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_single.c index 976db79807..44e778935c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_single.c index ef69185103..abc5155b86 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_single.c index 2d12809a0e..dbcc870672 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_single.c index 81bfc88ff3..c850da2e12 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_single.c index d4850b9c64..c776db2a0c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_single.c index 3b944735a1..241e88a207 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_single.c index 7e781d8c54..acd92e470a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_single.c index 124984f5b7..e6654fb34c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_single.c index 3657498097..19bfa145b3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_single.c index ac4056d61a..bb0d39c2cb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_single.c index 98f1e5ff89..95ea1c90a4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_single.c index f19fdb6e27..f4a595ff18 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_single.c index a0800c7bb1..ef00c411ef 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_single.c index 26ae2d86f8..9ab045d7c4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_single.c index 2440e40e80..a3756d11b4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_single.c index 8951f7b1ac..97c3544ecd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_single.c index d95086dc83..8f7c02e1b9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_single.c index ed60910893..c06e69cdf1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_single.c index e668f37eac..6f913d9f2a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_single.c index 8de0251a0c..14b5a13784 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_single.c index 1174b60086..1195d6f368 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_single.c index 5d37d6a906..7defd5eea0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_single.c index e4c2fb57d8..554df163ed 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_single.c index 8ed5fbba4d..b3bb1e3386 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_single.c index 9d5ff02156..39d6a1ff92 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_single.c index 2f1195032f..d58e54d057 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_single.c index 456073406f..21df83f1e0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_single.c index ff46929175..24316614f3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_single.c index 95f7b6bcc6..c1a39c0b8c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_single.c index 9829f75d03..f795c93ac9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_single.c index 6f88199453..43b22ea483 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_single.c index 2354469b72..0b271c51fb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_single.c index 4b82971888..1f559cea45 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_single.c index cdc49ea118..2ba293f393 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_single.c index 7b6294991a..c5f8434cf1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_single.c index c9622d2a5b..fe39fd4caa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_single.c index 10187c7e5f..20fc2cda8a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_single.c index ad5c90dd67..8cc79fa529 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_single.c index a5af56cdb2..5d9a7cfedc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_single.c index ba86d93aa2..e763b46ae0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_single.c index d2ecd219e4..0d8716596b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_single.c index 235177ae40..024bb96cdc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_single.c index dfa9ba72d2..042825c21d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_single.c index a93d01a1d4..8182bb2a85 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_single.c index 7eeab8da42..8e6f33c082 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_single.c index b0ded1f223..84bb23ec55 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_single.c index 9978c95423..7879d42549 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_single.c index 093d32a297..0fcd8372ba 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_single.c index c295fa6072..b5776de42d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_single.c index c42c54d902..4fe5e29c37 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_single.c index f1d72f2145..c11dc8f2fb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_single.c index c8e8779534..f9716c7604 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_single.c index 44a02f77b9..d143343c56 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_single.c index 55202ae4f9..72bf1c5ae5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_single.c index cafd4d6ec8..f329ddcd8d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_single.c index ad37602cca..8c05628eb8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_single.c index 5f9d4cede2..4fe7b49b26 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_single.c index 68f4cd4238..ce08e497e2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_single.c index 4d741c0b4b..5995f4a1fa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_single.c index fb1b69f1c9..3513403950 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_single.c index 3bb0efaec4..021a12934a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_single.c index 9fd6ef13f7..6771caa3f4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_single.c index 0132281fd4..78aac0d4f3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_single.c index 61396db6b9..5af26e7c00 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_single.c index 117311e1e2..7c3039408c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_single.c index f36d48282f..e386e52943 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_single.c index 7af3ae5612..d2b55346d4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_single.c index a784c3f27f..bf83596920 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_single.c index 962ae78467..ffe1f4d7ac 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_single.c index 15c99411d6..176e535f35 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_single.c index dbfd3ebb7e..9871590f8a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_single.c index 3da293f0a1..95d34c283d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_single.c index 2023f338fc..6ba063d134 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.c b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.c index ddaa369874..dea8c2c074 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse2_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse2_single kernel generator. */ #ifndef nb_kernel_sse2_single_h #define nb_kernel_sse2_single_h diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.h b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.h index dab81ab6c8..a034b81663 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.h +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.h @@ -1,23 +1,37 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2001-2012, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef nb_kernel_sse2_single_h #define nb_kernel_sse2_single_h diff --git a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_template_sse2_single.pre b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_template_sse2_single.pre index edec7a3745..572b896d98 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_template_sse2_single.pre +++ b/src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_template_sse2_single.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/make_nb_kernel_sse4_1_double.py b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/make_nb_kernel_sse4_1_double.py index cda34cd3b9..a6e0802d30 100755 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/make_nb_kernel_sse4_1_double.py +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/make_nb_kernel_sse4_1_double.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'sse4_1_double' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_double.c index ab83f61bd4..bccf8c5bac 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_double.c index 6787a2044b..075493a036 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_double.c index fd02e02b34..169f7f6f0a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_double.c index 640fe433ce..d645ff5fde 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_double.c index bd36c2340c..0b8a16b61d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_double.c index d443ca8d7c..237ced31fc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_double.c index f5d9123831..8ff70014a9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_double.c index 3dfc92f377..1ee791ca9c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_double.c index 7710ce86f1..0d622d6015 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_double.c index ba0e469289..09d4e0a868 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_double.c index 0124d61e2c..1302cdf2d7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_double.c index 0769d9ce2d..3c366e65db 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_double.c index 525cd26d29..314b62be81 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_double.c index b3d4833ae5..29452ab68d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_double.c index 497b4ff301..666ac1b40d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_double.c index 462edb7ca0..7698b97264 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_double.c index b51cdb8da4..0bda7cfdf2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_double.c index 905bfcd53e..a217296f23 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_double.c index 5a6d740e41..4cdf88f484 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_double.c index bf057adb6c..83aeb3da77 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_double.c index 920cb8825e..a50a34c8e3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_double.c index dc20200941..e2fbf18be4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_double.c index e9da4ac1b7..495a8558af 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_double.c index f24b642f4a..8970e47d94 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_double.c index 7586cb27ab..5f7024c9a6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_double.c index 655e529fbf..832d6820d2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_double.c index 9f1e0dd460..87ed580606 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_double.c index 6adb2338fb..9a6155f4b6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_double.c index 7818e9bdd2..3a75bf36f9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_double.c index 22729fe7c3..cbea11c887 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_double.c index 16cabe9105..d1997082af 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_double.c index c5bd29d2f5..98960a145f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_double.c index 708e530e03..700aac1f58 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_double.c index a34fe1bed3..444dba6399 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_double.c index cff72d5499..b1aaa336b6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_double.c index 1f793ff58a..9726586db0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_double.c index 9323a91266..afbeaa89cf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_double.c index f8f2da01cc..85a171df47 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_double.c index 5b05958d28..631a747a82 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_double.c index efe05be233..3556fd7cbe 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_double.c index 00f5ef6943..9a301fdb34 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_double.c index 486d0afd94..fffd438a23 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_double.c index 7e746f9d8b..3b59f78673 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_double.c index 5da2b298d2..9fab441fbd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_double.c index da05633898..3d93c3b08f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_double.c index 791390622d..59a326d76c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_double.c index d8dde7f47f..5762c62680 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_double.c index b4a18dda60..03c223c4bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_double.c index a8a3f5f596..cc974c8481 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_double.c index 96e56f2781..1fc872e6e0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_double.c index db96a7cab0..244985c25e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_double.c index 761ecd9bb6..4b4790c3e4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_double.c index add57aa82b..441e67ff66 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_double.c index 74fedc42d2..4d405e3ca9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_double.c index c6479b85c0..84a7b5e364 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_double.c index b3b51e0ed6..37e5213894 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_double.c index 9305aa8779..a76c07209d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_double.c index 4d8a1ca3bb..964fb076ad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_double.c index 86075b0baa..89e936b4c9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_double.c index 667c068b52..aa1cf146fa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_double.c index 01a43acb02..39d41e88c2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_double.c index a5517d8d37..79aede27c4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_double.c index 46c4d54f5f..93e6cdbb96 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_double.c index fc3c01f7d1..1d56bc787a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_double.c index 76f8ceda0f..39161efbfc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_double.c index c3e898e2a9..ac3ee765df 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_double.c index 2e9e29e174..48251a8ea4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_double.c index be01ba33b0..932e7669c4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_double.c index 268d62811a..fe0cf5a914 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_double.c index 7bd801e70c..4a613c9e86 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_double.c index 80f2cd9fca..a05c757b22 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_double.c index eff98bbee9..87ede947ec 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_double.c index 213dfb2b26..f657cfcaa7 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_double.c index 33ceddf5da..852e2c1f2f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_double.c index ca975e509a..8db41b414b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_double.c index 7f721a77cb..5cef5621ad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_double.c index 83b4033d71..ad11ae1491 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_double.c index 2b6559d503..1d9d9a8b16 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_double.c index f8702572d3..56ed61e6cc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_double.c index 5549386eaa..9cbca53e2a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_double.c index 9b8d28d1f9..89e02bfd38 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_double.c index c842707fec..a307354858 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_double.c index 3caff8d391..bd4c207c4e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_double.c index 15d883a40b..5554bed91e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_double.c index 54a79021a4..6f7cad3c14 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_double.c index b99bf778e8..28785b953b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_double.c index 02ba39913d..68e9906baa 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_double.c index a63af3d2f5..7849235186 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_double.c index 68a0c02141..9fb335ad6a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_double.c index 7069495416..31764ed05a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_double.c index af2033a558..8f0ad3c678 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_double.c index f7c222bd5a..af41e05183 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_double.c index d42fb282ef..e5b2e0b051 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_double.c index 1727b9eb71..a5529bb86a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_double.c index 4fd6876930..a7b0a0f45f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_double.c index 82a2227484..961ccc60a8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_double.c index 9aa8b34b8e..cd1a2739fe 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_double.c index 43a5eb9ca8..dbbfee6e8f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_double.c index 619aadcd9c..c35a6e1b64 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_double.c index 5403d257a8..edc2f1c3c4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_double.c index 249bc60e14..e35f547137 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_double.c index 64174ad2bf..134c839e3e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_double.c index 34614b9fd1..d3cfde0b8b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_double.c index 87a45f717d..cc5efcadca 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_double.c index 68074f3245..fa35bb9f1a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_double.c index cbf343fbb9..c9a1a7d5ef 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_double.c index f10107ad38..a572ffedee 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_sse4_1_double.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_sse4_1_double.c index cf5b908609..ddba9e97d1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_sse4_1_double.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_sse4_1_double.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_double kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_double kernel generator. */ #ifndef nb_kernel_sse4_1_double_h #define nb_kernel_sse4_1_double_h diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_template_sse4_1_double.pre b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_template_sse4_1_double.pre index 7447835568..3548d76cb6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_template_sse4_1_double.pre +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_template_sse4_1_double.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h index cee331911b..761febfada 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h @@ -1,30 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 2011-2012, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _kernelutil_x86_sse4_1_single_h_ #define _kernelutil_x86_sse4_1_single_h_ diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/make_nb_kernel_sse4_1_single.py b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/make_nb_kernel_sse4_1_single.py index d16e608f02..2b5f67e369 100755 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/make_nb_kernel_sse4_1_single.py +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/make_nb_kernel_sse4_1_single.py @@ -1,4 +1,37 @@ #!/usr/bin/python +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org import sys import os @@ -58,25 +91,41 @@ Arch = 'sse4_1_single' FileHeader = \ '/*\n' \ -' * Note: this file was generated by the Gromacs '+Arch+' kernel generator.\n' \ +' * This file is part of the GROMACS molecular simulation package.\n' \ ' *\n' \ -' * This source code is part of\n' \ +' * Copyright (c) 2012, by the GROMACS development team, led by\n' \ +' * David van der Spoel, Berk Hess, Erik Lindahl, and including many\n' \ +' * others, as listed in the AUTHORS file in the top-level source\n' \ +' * directory and at http://www.gromacs.org.\n' \ ' *\n' \ -' * G R O M A C S\n' \ +' * GROMACS is free software; you can redistribute it and/or\n' \ +' * modify it under the terms of the GNU Lesser General Public License\n' \ +' * as published by the Free Software Foundation; either version 2.1\n' \ +' * of the License, or (at your option) any later version.\n' \ ' *\n' \ -' * Copyright (c) 2001-2012, The GROMACS Development Team\n' \ +' * GROMACS is distributed in the hope that it will be useful,\n' \ +' * but WITHOUT ANY WARRANTY; without even the implied warranty of\n' \ +' * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU\n' \ +' * Lesser General Public License for more details.\n' \ ' *\n' \ -' * Gromacs is a library for molecular simulation and trajectory analysis,\n' \ -' * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for\n' \ -' * a full list of developers and information, check out http://www.gromacs.org\n' \ +' * You should have received a copy of the GNU Lesser General Public\n' \ +' * License along with GROMACS; if not, see\n' \ +' * http://www.gnu.org/licenses, or write to the Free Software Foundation,\n' \ +' * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.\n' \ ' *\n' \ -' * This program is free software; you can redistribute it and/or modify it under\n' \ -' * the terms of the GNU Lesser General Public License as published by the Free\n' \ -' * Software Foundation; either version 2 of the License, or (at your option) any\n' \ -' * later version.\n' \ +' * If you want to redistribute modifications to GROMACS, please\n' \ +' * consider that scientific software is very special. Version\n' \ +' * control is crucial - bugs must be traceable. We will be happy to\n' \ +' * consider code for inclusion in the official distribution, but\n' \ +' * derived work must not be called official GROMACS. Details are found\n' \ +' * in the README & COPYING files - if they are missing, get the\n' \ +' * official version at http://www.gromacs.org.\n' \ ' *\n' \ -' * To help fund GROMACS development, we humbly ask that you cite\n' \ -' * the papers people have written on it - you can find them on the website.\n' \ +' * To help us fund GROMACS development, we humbly ask that you cite\n' \ +' * the research papers on the package. Check out http://www.gromacs.org.\n' \ +' */\n' \ +'/*\n' \ +' * Note: this file was generated by the GROMACS '+Arch+' kernel generator.\n' \ ' */\n' ############################################### diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_single.c index 6cb8ec885a..1655571e1a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_single.c index 4fb16235f9..da59126be1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_single.c index 5200765889..8bfcce7d72 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_single.c index 8b16e0e082..5d643761f1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_single.c index ed1053ba83..91c214f104 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_single.c index 519af851c3..3d7a726c67 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_single.c index ffbe4eccc6..c4587777db 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_single.c index 37ebe00756..dd1234f0ce 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_single.c index 892a7cd0d0..e21316b0e6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_single.c index bd15860c0e..702705ffde 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_single.c index 7921b40b05..917f086284 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_single.c index 8c057cf54a..557c350bf2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_single.c index f794ee3ab2..55b932e16a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_single.c index dd01c35782..a02216c505 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_single.c index bb5647673b..4a82717657 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_single.c index 3de67e2812..8dc169b4f2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_single.c index d325eb1415..4d1012315b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_single.c index 67202c39b0..87238b06f6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_single.c index 357e868af4..2c31e65b76 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_single.c index a11af05720..3b34070a38 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_single.c index 3a232819d0..dddc5c68f5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_single.c index 9d742cb592..ffbd735a6a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_single.c index fb92493c97..cf57846b0d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_single.c index 587b07dc11..0320bf5e62 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_single.c index eb33e21cf3..1b5203b94c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_single.c index d720fb7970..460d923683 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_single.c index ff39c155b8..34d82b7867 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_single.c index 7053e9b319..c0283271fb 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_single.c index d12786cf32..90070639ad 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_single.c index bc9d6baae5..8650a216bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_single.c index fcdd4fa72b..598a3371b4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_single.c index c50f4a97dd..cf344e8765 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_single.c index 0d65452e07..faa973e3e6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_single.c index e9b41e46d5..2dd1ce64d4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_single.c index f1ec3a3860..a9298f98bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_single.c index 3b1875e708..64a1514be5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_single.c index 114ed8b8c0..9e85a59e98 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_single.c index 02d55242c2..478712d5a5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_single.c index 2faee8a482..20098ae0c0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_single.c index cbebab614d..679a551c01 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_single.c index 7629eb96b8..4bcc95c70c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_single.c index 130e3198a3..f44c430216 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_single.c index 827a17fd4b..6a45801471 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_single.c index c4d362a32d..f1bb6abbc1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_single.c index a6f2e09d3a..47c13c9dd1 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_single.c index b2758581ce..fff31966f8 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_single.c index 4ca1cf83c2..85006010e0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_single.c index aa19de02e1..e045849780 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_single.c index 0e492764e7..62496accd0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_single.c index 14c3398738..95989b9ec4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_single.c index c7ecd655b0..308149ab2d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_single.c index 4d5bcd0890..255bed31bf 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_single.c index 62bf069790..013d58312b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_single.c index 61e0cfc6f4..e8af8ce545 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_single.c index b886bba0a9..aae32362ea 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_single.c index 71f74f4565..9b234f0eee 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_single.c index eff4f026bb..a084e35b19 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_single.c index a337ae2f77..08804fb9be 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_single.c index 16fefb40f3..264d7cb14c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_single.c index 0e1755e564..89e5916d66 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_single.c index 9a5b8363be..c71837ca02 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_single.c index cb0d236ef4..72e7416e40 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_single.c index d1ac03fe8f..3d7cc5c08f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_single.c index 80070b2688..2e5a77ebbe 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_single.c index 4e62992a52..5112cef1a2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_single.c index 9d47405368..ab5c1b5ab2 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_single.c index 4f80354d91..8dd0cf706e 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_single.c index 1a98520afb..5e2a9a6555 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_single.c index a9224a50dd..1db9a8538d 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_single.c index 072b8f4a85..6a959fd5c3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_single.c index 495ab1e912..e452e94dd0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_single.c index 8d8925c797..f4d45e48c3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_single.c index 95be126cf8..6cdb2b74a9 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_single.c index d452c7e382..e4953b2af6 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_single.c index 57259d0187..1c9cd9b992 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_single.c index 551c278374..1f29f98335 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_single.c index e5c1930435..72f936c0e5 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_single.c index 2f8f18a44e..5ba151dae3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_single.c index 3077f468c9..d9dcf09c68 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_single.c index 3eb0cd9478..3396c6b75f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_single.c index edb3898a11..e8cb020c0c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_single.c index 7afc10e688..6ac10bc8d4 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_single.c index 2bee0b89e8..2a6406c22a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_single.c index 19aa4f12dc..e5da758577 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_single.c index 186e43cdc0..0cbb2d3cff 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_single.c index 6e45c3cd2a..cde1dada0a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_single.c index a96b8fe94f..584e9dddd3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_single.c index ffba252ab0..8cc29e65bc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_single.c index 65ae66dfe9..8819edff07 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_single.c index 6da05a6b93..70bf96fb30 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_single.c index b94c8bea6e..754e606783 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_single.c index 8d219d8151..9595ec01bd 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_single.c index 40a1a31eaa..5a91ceb388 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_single.c index 32c7feb202..959da3a023 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_single.c index b79214e4c2..926afad5cc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_single.c index 0c2f12fc4b..eb74514b4b 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_single.c index 6a44ae3a5b..43e4b3a384 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_single.c index 2478fb16bb..104a026328 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_single.c index 8e04a9d736..8415685822 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_single.c index adc8bb2192..017ca662c3 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_single.c index 73c35b4696..9dc8a5d8a0 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_single.c index db773fcaa7..c83ec661fc 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_single.c index 1d70286e42..0d53025775 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_single.c index 13d448eae1..92a0d24157 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_single.c index 186c977b6a..516d5f4450 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_single.c index 41beb98b89..8d318a649c 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_single.c index c4c6de7b96..e7cc70a11a 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.c b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.c index 6deaef13a1..5120e48598 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.c +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs sse4_1_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS sse4_1_single kernel generator. */ #ifndef nb_kernel_sse4_1_single_h #define nb_kernel_sse4_1_single_h diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.h b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.h index a8054157a1..e26beacf3f 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.h +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.h @@ -1,23 +1,37 @@ /* - * Note: this file was generated by the Gromacs c kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2001-2012, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef nb_kernel_sse4_1_single_h #define nb_kernel_sse4_1_single_h diff --git a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_template_sse4_1_single.pre b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_template_sse4_1_single.pre index 9214f45ad8..975f9e7e47 100644 --- a/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_template_sse4_1_single.pre +++ b/src/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_template_sse4_1_single.pre @@ -1,3 +1,37 @@ +/* ## */ +/* ## This file is part of the GROMACS molecular simulation package. */ +/* ## */ +/* ## Copyright (c) 2012, by the GROMACS development team, led by */ +/* ## David van der Spoel, Berk Hess, Erik Lindahl, and including many */ +/* ## others, as listed in the AUTHORS file in the top-level source */ +/* ## directory and at http://www.gromacs.org. */ +/* ## */ +/* ## GROMACS is free software; you can redistribute it and/or */ +/* ## modify it under the terms of the GNU Lesser General Public License */ +/* ## as published by the Free Software Foundation; either version 2.1 */ +/* ## of the License, or (at your option) any later version. */ +/* ## */ +/* ## GROMACS is distributed in the hope that it will be useful, */ +/* ## but WITHOUT ANY WARRANTY; without even the implied warranty of */ +/* ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */ +/* ## Lesser General Public License for more details. */ +/* ## */ +/* ## You should have received a copy of the GNU Lesser General Public */ +/* ## License along with GROMACS; if not, see */ +/* ## http://www.gnu.org/licenses, or write to the Free Software Foundation, */ +/* ## Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. */ +/* ## */ +/* ## If you want to redistribute modifications to GROMACS, please */ +/* ## consider that scientific software is very special. Version */ +/* ## control is crucial - bugs must be traceable. We will be happy to */ +/* ## consider code for inclusion in the official distribution, but */ +/* ## derived work must not be called official GROMACS. Details are found */ +/* ## in the README & COPYING files - if they are missing, get the */ +/* ## official version at http://www.gromacs.org. */ +/* ## */ +/* ## To help us fund GROMACS development, we humbly ask that you cite */ +/* ## the research papers on the package. Check out http://www.gromacs.org. */ +/* ## */ /* #if 0 */ #error This file must be processed with the Gromacs pre-preprocessor /* #endif */ diff --git a/src/gmxlib/nonbonded/nonbonded.c b/src/gmxlib/nonbonded/nonbonded.c index 939cab3c67..07da1ab477 100644 --- a/src/gmxlib/nonbonded/nonbonded.c +++ b/src/gmxlib/nonbonded/nonbonded.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nonbonded/preprocessor/gmxpreprocess.py b/src/gmxlib/nonbonded/preprocessor/gmxpreprocess.py index 46619c62aa..3ca4d47c98 100755 --- a/src/gmxlib/nonbonded/preprocessor/gmxpreprocess.py +++ b/src/gmxlib/nonbonded/preprocessor/gmxpreprocess.py @@ -3,7 +3,7 @@ # License: MIT License (http://www.opensource.org/licenses/mit-license.php) # Original filename preprocess.py, see http://code.google.com/p/preprocess/ # -# Modified by Erik Lindahl 2009-2012 +# Modified form Copyright (c) by Erik Lindahl 2009-2012 # to enable advanced preprocessing for Gromacs kernels, including # preprocessor for-loops and substitution into preprocessor directives # as well as program strings. diff --git a/src/gmxlib/nrama.c b/src/gmxlib/nrama.c index dc8307ef9b..8212f02e4c 100644 --- a/src/gmxlib/nrama.c +++ b/src/gmxlib/nrama.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/nrjac.c b/src/gmxlib/nrjac.c index 57f9d3b9a3..9cfafdd025 100644 --- a/src/gmxlib/nrjac.c +++ b/src/gmxlib/nrjac.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/nrnb.c b/src/gmxlib/nrnb.c index 09c56faea7..1fd315c14a 100644 --- a/src/gmxlib/nrnb.c +++ b/src/gmxlib/nrnb.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/oenv.c b/src/gmxlib/oenv.c index 7804ef901b..d0e9138014 100644 --- a/src/gmxlib/oenv.c +++ b/src/gmxlib/oenv.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/orires.c b/src/gmxlib/orires.c index d57d9ac7e8..6b011a1dd7 100644 --- a/src/gmxlib/orires.c +++ b/src/gmxlib/orires.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/pargs.c b/src/gmxlib/pargs.c index 4df3a51494..7f0d3bb5b5 100644 --- a/src/gmxlib/pargs.c +++ b/src/gmxlib/pargs.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/pbc.c b/src/gmxlib/pbc.c index 1a71f6ffea..ed210a1f82 100644 --- a/src/gmxlib/pbc.c +++ b/src/gmxlib/pbc.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/pdbio.c b/src/gmxlib/pdbio.c index 5eae96422b..123b38b66f 100644 --- a/src/gmxlib/pdbio.c +++ b/src/gmxlib/pdbio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/princ.c b/src/gmxlib/princ.c index f42ea0a719..05dda714f7 100644 --- a/src/gmxlib/princ.c +++ b/src/gmxlib/princ.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/rando.c b/src/gmxlib/rando.c index 4dadc33ce7..8558104a0b 100644 --- a/src/gmxlib/rando.c +++ b/src/gmxlib/rando.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/random.c b/src/gmxlib/random.c index 8cf98e8c84..2bd9c5b3d0 100644 --- a/src/gmxlib/random.c +++ b/src/gmxlib/random.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/rbin.c b/src/gmxlib/rbin.c index 152bad932f..ffa4c7303b 100644 --- a/src/gmxlib/rbin.c +++ b/src/gmxlib/rbin.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/readinp.c b/src/gmxlib/readinp.c index 1a8daa9424..874de494ab 100644 --- a/src/gmxlib/readinp.c +++ b/src/gmxlib/readinp.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/replace.c b/src/gmxlib/replace.c index 8038bed8f6..0eaba08c8e 100644 --- a/src/gmxlib/replace.c +++ b/src/gmxlib/replace.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/replace.h b/src/gmxlib/replace.h index f1d5e34ec0..2b9f89574a 100644 --- a/src/gmxlib/replace.h +++ b/src/gmxlib/replace.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _replace_h diff --git a/src/gmxlib/rmpbc.c b/src/gmxlib/rmpbc.c index 41aa1636d2..a7b06645fd 100644 --- a/src/gmxlib/rmpbc.c +++ b/src/gmxlib/rmpbc.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/selection/compiler.c b/src/gmxlib/selection/compiler.c index 3ff371cc36..223f77e629 100644 --- a/src/gmxlib/selection/compiler.c +++ b/src/gmxlib/selection/compiler.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Selection compilation and optimization. diff --git a/src/gmxlib/selection/evaluate.c b/src/gmxlib/selection/evaluate.c index 8e48c6a708..7d75b59244 100644 --- a/src/gmxlib/selection/evaluate.c +++ b/src/gmxlib/selection/evaluate.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in evaluate.h. diff --git a/src/gmxlib/selection/evaluate.h b/src/gmxlib/selection/evaluate.h index 99c15c7169..2ff41c912f 100644 --- a/src/gmxlib/selection/evaluate.h +++ b/src/gmxlib/selection/evaluate.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Evaluation functions for sel_evalfunc(). diff --git a/src/gmxlib/selection/keywords.h b/src/gmxlib/selection/keywords.h index f28f2aaf5b..f59e3e9d25 100644 --- a/src/gmxlib/selection/keywords.h +++ b/src/gmxlib/selection/keywords.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Definitions of generic keyword evaluation structures. diff --git a/src/gmxlib/selection/mempool.c b/src/gmxlib/selection/mempool.c index 32d8aa0ebb..d8e7db9f12 100644 --- a/src/gmxlib/selection/mempool.c +++ b/src/gmxlib/selection/mempool.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Memory pooling for selection evaluation. diff --git a/src/gmxlib/selection/mempool.h b/src/gmxlib/selection/mempool.h index ca6abba689..8128cab44d 100644 --- a/src/gmxlib/selection/mempool.h +++ b/src/gmxlib/selection/mempool.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Declarations for memory pooling functions. diff --git a/src/gmxlib/selection/params.c b/src/gmxlib/selection/params.c index 94a59ff7a9..af3e728849 100644 --- a/src/gmxlib/selection/params.c +++ b/src/gmxlib/selection/params.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief diff --git a/src/gmxlib/selection/parser.c b/src/gmxlib/selection/parser.c index 3476e15914..a68ed86a98 100644 --- a/src/gmxlib/selection/parser.c +++ b/src/gmxlib/selection/parser.c @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ /* A Bison parser, made by GNU Bison 2.3. */ /* Skeleton implementation for Bison's Yacc-like parsers in C diff --git a/src/gmxlib/selection/parser.h b/src/gmxlib/selection/parser.h index fc61ef097b..421e626d6c 100644 --- a/src/gmxlib/selection/parser.h +++ b/src/gmxlib/selection/parser.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ /* A Bison parser, made by GNU Bison 2.3. */ /* Skeleton interface for Bison's Yacc-like parsers in C diff --git a/src/gmxlib/selection/parser.y b/src/gmxlib/selection/parser.y index cc2483f2ea..25cb89deaa 100644 --- a/src/gmxlib/selection/parser.y +++ b/src/gmxlib/selection/parser.y @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Grammar description and parser for the selection language. diff --git a/src/gmxlib/selection/parsetree.c b/src/gmxlib/selection/parsetree.c index c63a152668..f70c722df8 100644 --- a/src/gmxlib/selection/parsetree.c +++ b/src/gmxlib/selection/parsetree.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions of in parsetree.h. diff --git a/src/gmxlib/selection/parsetree.h b/src/gmxlib/selection/parsetree.h index 8d97d1515d..be185e0a04 100644 --- a/src/gmxlib/selection/parsetree.h +++ b/src/gmxlib/selection/parsetree.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Handling of intermediate selection parser data. diff --git a/src/gmxlib/selection/scanner.c b/src/gmxlib/selection/scanner.c index de74a3d8a8..bc76fbd415 100644 --- a/src/gmxlib/selection/scanner.c +++ b/src/gmxlib/selection/scanner.c @@ -509,34 +509,41 @@ static yyconst flex_int16_t yy_chk[193] = #define YY_RESTORE_YY_MORE_OFFSET #line 1 "scanner.l" /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \cond \internal \file scanner.l * \brief diff --git a/src/gmxlib/selection/scanner.h b/src/gmxlib/selection/scanner.h index 44860387bb..e855ba765c 100644 --- a/src/gmxlib/selection/scanner.h +++ b/src/gmxlib/selection/scanner.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief diff --git a/src/gmxlib/selection/scanner_flex.h b/src/gmxlib/selection/scanner_flex.h index 0a89dc97fd..26914fdd07 100644 --- a/src/gmxlib/selection/scanner_flex.h +++ b/src/gmxlib/selection/scanner_flex.h @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #ifndef _gmx_sel_yyHEADER_H #define _gmx_sel_yyHEADER_H 1 #define _gmx_sel_yyIN_HEADER 1 diff --git a/src/gmxlib/selection/scanner_internal.c b/src/gmxlib/selection/scanner_internal.c index 7b0f1505b7..e5909b9ed9 100644 --- a/src/gmxlib/selection/scanner_internal.c +++ b/src/gmxlib/selection/scanner_internal.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Helper functions for the selection tokenizer. diff --git a/src/gmxlib/selection/scanner_internal.h b/src/gmxlib/selection/scanner_internal.h index 802c8f7213..abafeaec17 100644 --- a/src/gmxlib/selection/scanner_internal.h +++ b/src/gmxlib/selection/scanner_internal.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Internal header file used by the selection tokenizer. diff --git a/src/gmxlib/selection/selcollection.h b/src/gmxlib/selection/selcollection.h index 909c878147..d50d31a247 100644 --- a/src/gmxlib/selection/selcollection.h +++ b/src/gmxlib/selection/selcollection.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Definition of \c gmx_ana_selcollection_t. diff --git a/src/gmxlib/selection/selection.c b/src/gmxlib/selection/selection.c index 17a9cf7618..46a44ed965 100644 --- a/src/gmxlib/selection/selection.c +++ b/src/gmxlib/selection/selection.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief diff --git a/src/gmxlib/selection/selelem.c b/src/gmxlib/selection/selelem.c index 09971c0538..e6275c552a 100644 --- a/src/gmxlib/selection/selelem.c +++ b/src/gmxlib/selection/selelem.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in selelem.h. diff --git a/src/gmxlib/selection/selelem.h b/src/gmxlib/selection/selelem.h index 571d8a127f..bdb5a390a4 100644 --- a/src/gmxlib/selection/selelem.h +++ b/src/gmxlib/selection/selelem.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Definition of \c t_selelem and related things. diff --git a/src/gmxlib/selection/selhelp.c b/src/gmxlib/selection/selhelp.c index e2972d9d09..f1c97dfd80 100644 --- a/src/gmxlib/selection/selhelp.c +++ b/src/gmxlib/selection/selhelp.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in selhelp.c. diff --git a/src/gmxlib/selection/selhelp.h b/src/gmxlib/selection/selhelp.h index 54acb1b8c4..f4281983f1 100644 --- a/src/gmxlib/selection/selhelp.h +++ b/src/gmxlib/selection/selhelp.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Functions for printing help for selections. diff --git a/src/gmxlib/selection/selmethod.c b/src/gmxlib/selection/selmethod.c index 4572387455..8751c71f4f 100644 --- a/src/gmxlib/selection/selmethod.c +++ b/src/gmxlib/selection/selmethod.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in selmethod.h. diff --git a/src/gmxlib/selection/selvalue.c b/src/gmxlib/selection/selvalue.c index 769bfa544c..aec3e34a32 100644 --- a/src/gmxlib/selection/selvalue.c +++ b/src/gmxlib/selection/selvalue.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in selvalue.h. diff --git a/src/gmxlib/selection/sm_compare.c b/src/gmxlib/selection/sm_compare.c index 103eb9ec01..578b7bcc14 100644 --- a/src/gmxlib/selection/sm_compare.c +++ b/src/gmxlib/selection/sm_compare.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief diff --git a/src/gmxlib/selection/sm_distance.c b/src/gmxlib/selection/sm_distance.c index 61ee58e7a3..b5f37f84ff 100644 --- a/src/gmxlib/selection/sm_distance.c +++ b/src/gmxlib/selection/sm_distance.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of distance-based selection methods. diff --git a/src/gmxlib/selection/sm_insolidangle.c b/src/gmxlib/selection/sm_insolidangle.c index e2bd1f407b..075047c6da 100644 --- a/src/gmxlib/selection/sm_insolidangle.c +++ b/src/gmxlib/selection/sm_insolidangle.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \page sm_insolidangle Selection method: insolidangle * diff --git a/src/gmxlib/selection/sm_keywords.c b/src/gmxlib/selection/sm_keywords.c index 0dbec1921f..90e0b45cec 100644 --- a/src/gmxlib/selection/sm_keywords.c +++ b/src/gmxlib/selection/sm_keywords.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementations of internal selection methods for numeric and diff --git a/src/gmxlib/selection/sm_merge.c b/src/gmxlib/selection/sm_merge.c index 34d2b0d740..e56e9128ee 100644 --- a/src/gmxlib/selection/sm_merge.c +++ b/src/gmxlib/selection/sm_merge.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of the merging selection modifier. diff --git a/src/gmxlib/selection/sm_permute.c b/src/gmxlib/selection/sm_permute.c index a318912eb2..32e87bb272 100644 --- a/src/gmxlib/selection/sm_permute.c +++ b/src/gmxlib/selection/sm_permute.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of the \p permute selection modifier. diff --git a/src/gmxlib/selection/sm_position.c b/src/gmxlib/selection/sm_position.c index 6a3ae6a3da..80d87a3d86 100644 --- a/src/gmxlib/selection/sm_position.c +++ b/src/gmxlib/selection/sm_position.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of position evaluation selection methods. diff --git a/src/gmxlib/selection/sm_same.c b/src/gmxlib/selection/sm_same.c index d50221e493..e0cb86fcb7 100644 --- a/src/gmxlib/selection/sm_same.c +++ b/src/gmxlib/selection/sm_same.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of the \p same selection method. diff --git a/src/gmxlib/selection/sm_simple.c b/src/gmxlib/selection/sm_simple.c index 669dda7e9d..d8cd98261f 100644 --- a/src/gmxlib/selection/sm_simple.c +++ b/src/gmxlib/selection/sm_simple.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementations of simple keyword selection methods. diff --git a/src/gmxlib/selection/symrec.c b/src/gmxlib/selection/symrec.c index 2e40096a24..c4d8c21314 100644 --- a/src/gmxlib/selection/symrec.c +++ b/src/gmxlib/selection/symrec.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in symrec.h. diff --git a/src/gmxlib/selection/symrec.h b/src/gmxlib/selection/symrec.h index bbf21b1005..017f9ced61 100644 --- a/src/gmxlib/selection/symrec.h +++ b/src/gmxlib/selection/symrec.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Handling of selection parser symbol table. diff --git a/src/gmxlib/selection/test_selection.c b/src/gmxlib/selection/test_selection.c index bde0ad1531..13c71c3d41 100644 --- a/src/gmxlib/selection/test_selection.c +++ b/src/gmxlib/selection/test_selection.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Testing/debugging tool for the selection engine. diff --git a/src/gmxlib/sfactor.c b/src/gmxlib/sfactor.c index 70c9dde017..76bf1a3a5a 100644 --- a/src/gmxlib/sfactor.c +++ b/src/gmxlib/sfactor.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/shift_util.c b/src/gmxlib/shift_util.c index 9df8e3dc53..ca4f5734c0 100644 --- a/src/gmxlib/shift_util.c +++ b/src/gmxlib/shift_util.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/sighandler.c b/src/gmxlib/sighandler.c index 95fe435253..a207a8bdc0 100644 --- a/src/gmxlib/sighandler.c +++ b/src/gmxlib/sighandler.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/smalloc.c b/src/gmxlib/smalloc.c index 8a78196c2c..2745643981 100644 --- a/src/gmxlib/smalloc.c +++ b/src/gmxlib/smalloc.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/sortwater.c b/src/gmxlib/sortwater.c index a8e1922594..2902f9a3b4 100644 --- a/src/gmxlib/sortwater.c +++ b/src/gmxlib/sortwater.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/sparsematrix.c b/src/gmxlib/sparsematrix.c index 41c78a528d..378d869930 100644 --- a/src/gmxlib/sparsematrix.c +++ b/src/gmxlib/sparsematrix.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/splitter.c b/src/gmxlib/splitter.c index ce0be7646d..21053c06d6 100644 --- a/src/gmxlib/splitter.c +++ b/src/gmxlib/splitter.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/statistics/gmx_statistics.c b/src/gmxlib/statistics/gmx_statistics.c index e57e4fe942..bcf5f9e244 100644 --- a/src/gmxlib/statistics/gmx_statistics.c +++ b/src/gmxlib/statistics/gmx_statistics.c @@ -1,37 +1,40 @@ /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- */ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/statistics/gmx_statistics_test.c b/src/gmxlib/statistics/gmx_statistics_test.c index 6497be8918..012d3ea761 100644 --- a/src/gmxlib/statistics/gmx_statistics_test.c +++ b/src/gmxlib/statistics/gmx_statistics_test.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/statistics/histogram.c b/src/gmxlib/statistics/histogram.c index 8618657ef0..ea6d641f83 100644 --- a/src/gmxlib/statistics/histogram.c +++ b/src/gmxlib/statistics/histogram.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \page histograms Histogram calculation * diff --git a/src/gmxlib/statutil.c b/src/gmxlib/statutil.c index 0175382dab..32c01e19b5 100644 --- a/src/gmxlib/statutil.c +++ b/src/gmxlib/statutil.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/strdb.c b/src/gmxlib/strdb.c index 91a9ef713e..91725b56a8 100644 --- a/src/gmxlib/strdb.c +++ b/src/gmxlib/strdb.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/string2.c b/src/gmxlib/string2.c index 9d8e535df4..e815a378cf 100644 --- a/src/gmxlib/string2.c +++ b/src/gmxlib/string2.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/symtab.c b/src/gmxlib/symtab.c index b2a4075d39..73eff50ba6 100644 --- a/src/gmxlib/symtab.c +++ b/src/gmxlib/symtab.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/tcontrol.c b/src/gmxlib/tcontrol.c index c807bddea3..c0eb191187 100644 --- a/src/gmxlib/tcontrol.c +++ b/src/gmxlib/tcontrol.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/topsort.c b/src/gmxlib/topsort.c index e79e2bd71f..b4229d5276 100644 --- a/src/gmxlib/topsort.c +++ b/src/gmxlib/topsort.c @@ -1,37 +1,41 @@ /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- */ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/tpxio.c b/src/gmxlib/tpxio.c index 62857d510e..b9a76ad5ef 100644 --- a/src/gmxlib/tpxio.c +++ b/src/gmxlib/tpxio.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/trajana/centerofmass.c b/src/gmxlib/trajana/centerofmass.c index bc46cfd408..87f8e95ef1 100644 --- a/src/gmxlib/trajana/centerofmass.c +++ b/src/gmxlib/trajana/centerofmass.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in centerofmass.h. diff --git a/src/gmxlib/trajana/displacement.c b/src/gmxlib/trajana/displacement.c index 57c7cd1b70..9c724f6c8e 100644 --- a/src/gmxlib/trajana/displacement.c +++ b/src/gmxlib/trajana/displacement.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \page displacements Displacement calculation routines * diff --git a/src/gmxlib/trajana/indexutil.c b/src/gmxlib/trajana/indexutil.c index ab5c131778..34c40a4f0f 100644 --- a/src/gmxlib/trajana/indexutil.c +++ b/src/gmxlib/trajana/indexutil.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in indexutil.h. diff --git a/src/gmxlib/trajana/nbsearch.c b/src/gmxlib/trajana/nbsearch.c index a0a0861c7e..c8cbb6abcc 100644 --- a/src/gmxlib/trajana/nbsearch.c +++ b/src/gmxlib/trajana/nbsearch.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \page nbsearch Neighborhood search routines * diff --git a/src/gmxlib/trajana/poscalc.c b/src/gmxlib/trajana/poscalc.c index 81259fc1d6..dc3def0ebc 100644 --- a/src/gmxlib/trajana/poscalc.c +++ b/src/gmxlib/trajana/poscalc.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal * \page poscalcengine Position calculation engine diff --git a/src/gmxlib/trajana/position.c b/src/gmxlib/trajana/position.c index 9f944b54e8..66cef2dae8 100644 --- a/src/gmxlib/trajana/position.c +++ b/src/gmxlib/trajana/position.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \internal \file * \brief Implementation of functions in position.h. diff --git a/src/gmxlib/trajana/trajana.c b/src/gmxlib/trajana/trajana.c index 91b79be4ec..cdb843b177 100644 --- a/src/gmxlib/trajana/trajana.c +++ b/src/gmxlib/trajana/trajana.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \page libtrajana Library for trajectory analysis * diff --git a/src/gmxlib/trnio.c b/src/gmxlib/trnio.c index 3cc7ef1d47..3fe40c6fba 100644 --- a/src/gmxlib/trnio.c +++ b/src/gmxlib/trnio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/trxio.c b/src/gmxlib/trxio.c index f191bfd4a8..1e78cb9294 100644 --- a/src/gmxlib/trxio.c +++ b/src/gmxlib/trxio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code forxd - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/txtdump.c b/src/gmxlib/txtdump.c index 945a31a4d8..d2e8b74f35 100644 --- a/src/gmxlib/txtdump.c +++ b/src/gmxlib/txtdump.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/typedefs.c b/src/gmxlib/typedefs.c index 7bec9cd999..e545cbbe97 100644 --- a/src/gmxlib/typedefs.c +++ b/src/gmxlib/typedefs.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/version.c.cmakein b/src/gmxlib/version.c.cmakein index 8aa4895973..8d7932ea88 100644 --- a/src/gmxlib/version.c.cmakein +++ b/src/gmxlib/version.c.cmakein @@ -1,3 +1,37 @@ +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "version.h" const char _gmx_ver_string[] = "VERSION @GMX_PROJECT_VERSION_STR@"; const char _gmx_full_git_hash[] = "@GMX_GIT_HEAD_HASH@"; diff --git a/src/gmxlib/version.h b/src/gmxlib/version.h index 937b3c5da0..b63d11e807 100644 --- a/src/gmxlib/version.h +++ b/src/gmxlib/version.h @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * For more info, check our website at http://www.gromacs.org + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef GMX_GMXLIB_VERSION_H #define GMX_GMXLIB_VERSION_H diff --git a/src/gmxlib/viewit.c b/src/gmxlib/viewit.c index 7f9350e10a..6834a9dba1 100644 --- a/src/gmxlib/viewit.c +++ b/src/gmxlib/viewit.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/gmxlib/vmddlopen.c b/src/gmxlib/vmddlopen.c index 9f7a2d8b22..de64ae108a 100644 --- a/src/gmxlib/vmddlopen.c +++ b/src/gmxlib/vmddlopen.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/vmddlopen.h b/src/gmxlib/vmddlopen.h index e18e65f986..feb6ec7c8b 100644 --- a/src/gmxlib/vmddlopen.h +++ b/src/gmxlib/vmddlopen.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ /*************************************************************************** diff --git a/src/gmxlib/vmdio.c b/src/gmxlib/vmdio.c index 9782231b20..009cf69b02 100644 --- a/src/gmxlib/vmdio.c +++ b/src/gmxlib/vmdio.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/vmdio.h b/src/gmxlib/vmdio.h index c1dbd53488..b5568e71cb 100644 --- a/src/gmxlib/vmdio.h +++ b/src/gmxlib/vmdio.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef VMDIO_H_ diff --git a/src/gmxlib/vmdplugin.h b/src/gmxlib/vmdplugin.h index 895bf14023..239b121748 100644 --- a/src/gmxlib/vmdplugin.h +++ b/src/gmxlib/vmdplugin.h @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * * This file is part of Gromacs Copyright (c) 1991-2008 * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ /*************************************************************************** diff --git a/src/gmxlib/warninp.c b/src/gmxlib/warninp.c index 86bf5cb818..aa75750112 100644 --- a/src/gmxlib/warninp.c +++ b/src/gmxlib/warninp.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/wgms.c b/src/gmxlib/wgms.c index f7eee35e91..5f8e318b25 100644 --- a/src/gmxlib/wgms.c +++ b/src/gmxlib/wgms.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/wman.c b/src/gmxlib/wman.c index 4e218f875d..21b00fb590 100644 --- a/src/gmxlib/wman.c +++ b/src/gmxlib/wman.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/writeps.c b/src/gmxlib/writeps.c index 1854893ab4..ee5c19b1df 100644 --- a/src/gmxlib/writeps.c +++ b/src/gmxlib/writeps.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/xdrd.c b/src/gmxlib/xdrd.c index 018c761eec..c81e8d7c36 100644 --- a/src/gmxlib/xdrd.c +++ b/src/gmxlib/xdrd.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/xtcio.c b/src/gmxlib/xtcio.c index 3c651ab988..f36a50c03c 100644 --- a/src/gmxlib/xtcio.c +++ b/src/gmxlib/xtcio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/gmxlib/xvgr.c b/src/gmxlib/xvgr.c index 896577847b..307ff49c38 100644 --- a/src/gmxlib/xvgr.c +++ b/src/gmxlib/xvgr.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/CMakeLists.txt b/src/kernel/CMakeLists.txt index 319c9b487c..d3a9bec8d4 100644 --- a/src/kernel/CMakeLists.txt +++ b/src/kernel/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# set(GMXPREPROCESS_SOURCES add_par.c diff --git a/src/kernel/add_par.c b/src/kernel/add_par.c index e2811b088a..174256b17f 100644 --- a/src/kernel/add_par.c +++ b/src/kernel/add_par.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/add_par.h b/src/kernel/add_par.h index 5362e7db60..37bea11fe7 100644 --- a/src/kernel/add_par.h +++ b/src/kernel/add_par.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _add_par_h diff --git a/src/kernel/calc_verletbuf.c b/src/kernel/calc_verletbuf.c index 86781abc5a..8a1f6ef00d 100644 --- a/src/kernel/calc_verletbuf.c +++ b/src/kernel/calc_verletbuf.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.03 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/calc_verletbuf.h b/src/kernel/calc_verletbuf.h index 50cdca14ae..d7908b2454 100644 --- a/src/kernel/calc_verletbuf.h +++ b/src/kernel/calc_verletbuf.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _calc_verletbuf_h diff --git a/src/kernel/compute_io.c b/src/kernel/compute_io.c index 257f2e340f..a01c362e96 100644 --- a/src/kernel/compute_io.c +++ b/src/kernel/compute_io.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/compute_io.h b/src/kernel/compute_io.h index 7ada264a3f..a7879aa36d 100644 --- a/src/kernel/compute_io.h +++ b/src/kernel/compute_io.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _compute_io_h diff --git a/src/kernel/convparm.c b/src/kernel/convparm.c index 06328d5f3a..84f5b7a6e4 100644 --- a/src/kernel/convparm.c +++ b/src/kernel/convparm.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/convparm.h b/src/kernel/convparm.h index 267730342f..967adc7ce8 100644 --- a/src/kernel/convparm.h +++ b/src/kernel/convparm.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _convparm_h diff --git a/src/kernel/do_gct.c b/src/kernel/do_gct.c index 5a8de3857e..4b591df98c 100644 --- a/src/kernel/do_gct.c +++ b/src/kernel/do_gct.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/fflibutil.c b/src/kernel/fflibutil.c index 7d5306838e..7d2abd34d4 100644 --- a/src/kernel/fflibutil.c +++ b/src/kernel/fflibutil.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/fflibutil.h b/src/kernel/fflibutil.h index 85e497636a..1eab00dea7 100644 --- a/src/kernel/fflibutil.h +++ b/src/kernel/fflibutil.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _fflibutil_h diff --git a/src/kernel/g_luck.c b/src/kernel/g_luck.c index 260f7fe82c..699fa7438e 100644 --- a/src/kernel/g_luck.c +++ b/src/kernel/g_luck.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/g_protonate.c b/src/kernel/g_protonate.c index 3f721db1b0..787da17b0c 100644 --- a/src/kernel/g_protonate.c +++ b/src/kernel/g_protonate.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/g_x2top.c b/src/kernel/g_x2top.c index 4a0f9b96de..0336bb10e6 100644 --- a/src/kernel/g_x2top.c +++ b/src/kernel/g_x2top.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/g_x2top.h b/src/kernel/g_x2top.h index d8bd7f1e64..636bfa8770 100644 --- a/src/kernel/g_x2top.h +++ b/src/kernel/g_x2top.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _x2top_h diff --git a/src/kernel/gctio.c b/src/kernel/gctio.c index fca07bf6fb..3c4c86aae3 100644 --- a/src/kernel/gctio.c +++ b/src/kernel/gctio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/gen_ad.c b/src/kernel/gen_ad.c index 92cc4df570..0c3611e14d 100644 --- a/src/kernel/gen_ad.c +++ b/src/kernel/gen_ad.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/gen_vsite.c b/src/kernel/gen_vsite.c index f3fffdd685..9dd06c534c 100644 --- a/src/kernel/gen_vsite.c +++ b/src/kernel/gen_vsite.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/gen_vsite.h b/src/kernel/gen_vsite.h index 74e437ef2b..55d06ebed2 100644 --- a/src/kernel/gen_vsite.h +++ b/src/kernel/gen_vsite.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gen_vsite_h diff --git a/src/kernel/genalg.c b/src/kernel/genalg.c index 352b1cab33..12bb49748f 100644 --- a/src/kernel/genalg.c +++ b/src/kernel/genalg.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /**H*O*C************************************************************** ** ** diff --git a/src/kernel/genalg.h b/src/kernel/genalg.h index 1bb6e940c7..685d63cf35 100644 --- a/src/kernel/genalg.h +++ b/src/kernel/genalg.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _genalg_h diff --git a/src/kernel/genhydro.c b/src/kernel/genhydro.c index a09693dd03..971c7d6846 100644 --- a/src/kernel/genhydro.c +++ b/src/kernel/genhydro.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/genhydro.h b/src/kernel/genhydro.h index 56dbfb47bd..d7972fc416 100644 --- a/src/kernel/genhydro.h +++ b/src/kernel/genhydro.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _genhydro_h diff --git a/src/kernel/gmxcheck.c b/src/kernel/gmxcheck.c index c6fd9cd960..a6a2d534b7 100644 --- a/src/kernel/gmxcheck.c +++ b/src/kernel/gmxcheck.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/gmxdump.c b/src/kernel/gmxdump.c index 4ade4c086d..fb9ae8b638 100644 --- a/src/kernel/gmxdump.c +++ b/src/kernel/gmxdump.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/gpp_atomtype.c b/src/kernel/gpp_atomtype.c index 8478b0d550..554071c7a8 100644 --- a/src/kernel/gpp_atomtype.c +++ b/src/kernel/gpp_atomtype.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/gpp_bond_atomtype.c b/src/kernel/gpp_bond_atomtype.c index ee7fe406b2..d116724bdd 100644 --- a/src/kernel/gpp_bond_atomtype.c +++ b/src/kernel/gpp_bond_atomtype.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/gpp_bond_atomtype.h b/src/kernel/gpp_bond_atomtype.h index 9902a839c6..075537d7b2 100644 --- a/src/kernel/gpp_bond_atomtype.h +++ b/src/kernel/gpp_bond_atomtype.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gpp_bondatomtype_h diff --git a/src/kernel/gpp_tomorse.h b/src/kernel/gpp_tomorse.h index c1935e604a..a5ef8f7ca8 100644 --- a/src/kernel/gpp_tomorse.h +++ b/src/kernel/gpp_tomorse.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _tomorse_h diff --git a/src/kernel/grompp.c b/src/kernel/grompp.c index abe1ba1365..8931528f2f 100644 --- a/src/kernel/grompp.c +++ b/src/kernel/grompp.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.03 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/h_db.c b/src/kernel/h_db.c index 38f1d7a742..081503f6ff 100644 --- a/src/kernel/h_db.c +++ b/src/kernel/h_db.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/h_db.h b/src/kernel/h_db.h index 5853c76232..aea8e8c35b 100644 --- a/src/kernel/h_db.h +++ b/src/kernel/h_db.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _h_db_h diff --git a/src/kernel/hackblock.c b/src/kernel/hackblock.c index c7086b9762..c61e56cca5 100644 --- a/src/kernel/hackblock.c +++ b/src/kernel/hackblock.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/hizzie.c b/src/kernel/hizzie.c index be5f00a11d..16e8baac4a 100644 --- a/src/kernel/hizzie.c +++ b/src/kernel/hizzie.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/hizzie.h b/src/kernel/hizzie.h index d6046e740b..40b7deef35 100644 --- a/src/kernel/hizzie.h +++ b/src/kernel/hizzie.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _hizzie_h diff --git a/src/kernel/ionize.c b/src/kernel/ionize.c index 41d44f1514..50d71d45af 100644 --- a/src/kernel/ionize.c +++ b/src/kernel/ionize.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/ionize.h b/src/kernel/ionize.h index ae6d7aa807..ae9f02253d 100644 --- a/src/kernel/ionize.h +++ b/src/kernel/ionize.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _ionize_h diff --git a/src/kernel/md.c b/src/kernel/md.c index 5faa14445d..c72aea114f 100644 --- a/src/kernel/md.c +++ b/src/kernel/md.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/md_openmm.c b/src/kernel/md_openmm.c index 80df1d1827..d5a15e73c5 100644 --- a/src/kernel/md_openmm.c +++ b/src/kernel/md_openmm.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/md_openmm.h b/src/kernel/md_openmm.h index 0cf3172cc6..d177db79dc 100644 --- a/src/kernel/md_openmm.h +++ b/src/kernel/md_openmm.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _MD_OPENMM_H #define _MD_OPENMM_H diff --git a/src/kernel/mdrun.c b/src/kernel/mdrun.c index 0f24b8878a..87819c4506 100644 --- a/src/kernel/mdrun.c +++ b/src/kernel/mdrun.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/membed.c b/src/kernel/membed.c index 7037c7aa8e..5b381fd8e5 100644 --- a/src/kernel/membed.c +++ b/src/kernel/membed.c @@ -1,36 +1,39 @@ /* - * $Id: mdrun.c,v 1.139.2.9 2009/05/04 16:13:29 hess Exp $ + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/membed.h b/src/kernel/membed.h index 25133045aa..9918ba6724 100644 --- a/src/kernel/membed.h +++ b/src/kernel/membed.h @@ -1,35 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _gmx_membed_h diff --git a/src/kernel/nm2type.c b/src/kernel/nm2type.c index 6b1b536ca9..8b79fb4fef 100644 --- a/src/kernel/nm2type.c +++ b/src/kernel/nm2type.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/openmm_wrapper.h b/src/kernel/openmm_wrapper.h index 10ea011e3f..ed30f71579 100644 --- a/src/kernel/openmm_wrapper.h +++ b/src/kernel/openmm_wrapper.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2010, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _OPENMM_WRAPPER_H_ diff --git a/src/kernel/pdb2gmx.c b/src/kernel/pdb2gmx.c index e2b33fb3f6..ad1e79cb39 100644 --- a/src/kernel/pdb2gmx.c +++ b/src/kernel/pdb2gmx.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/pdb2top.c b/src/kernel/pdb2top.c index 7889a447f2..9a2cf5cfd8 100644 --- a/src/kernel/pdb2top.c +++ b/src/kernel/pdb2top.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/pgutil.c b/src/kernel/pgutil.c index db8423932b..c6e000b6ba 100644 --- a/src/kernel/pgutil.c +++ b/src/kernel/pgutil.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ diff --git a/src/kernel/pgutil.h b/src/kernel/pgutil.h index 040c310f16..7281ba25b3 100644 --- a/src/kernel/pgutil.h +++ b/src/kernel/pgutil.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pgutil_h diff --git a/src/kernel/pme_loadbal.c b/src/kernel/pme_loadbal.c index 4390f66122..6367ac25bd 100644 --- a/src/kernel/pme_loadbal.c +++ b/src/kernel/pme_loadbal.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.6.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2011, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/pme_loadbal.h b/src/kernel/pme_loadbal.h index 0254a29153..385f9a0d14 100644 --- a/src/kernel/pme_loadbal.h +++ b/src/kernel/pme_loadbal.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.6.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2011, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pme_loadbal_h diff --git a/src/kernel/readadress.c b/src/kernel/readadress.c index 8564dbec1d..08915ec972 100644 --- a/src/kernel/readadress.c +++ b/src/kernel/readadress.c @@ -1,36 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.6.0 - * Written by Christoph Junghans, Brad Lambeth, and possibly others. * Copyright (c) 2009 Christoph Junghans, Brad Lambeth. - * All rights reserved. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #include "readir.h" diff --git a/src/kernel/readir.c b/src/kernel/readir.c index d3efd3d3fd..e83b09afab 100644 --- a/src/kernel/readir.c +++ b/src/kernel/readir.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/readir.h b/src/kernel/readir.h index 2dad5dc3a6..20de0ec33e 100644 --- a/src/kernel/readir.h +++ b/src/kernel/readir.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _readir_h diff --git a/src/kernel/readpull.c b/src/kernel/readpull.c index 4523eed2d9..f87aed9fde 100644 --- a/src/kernel/readpull.c +++ b/src/kernel/readpull.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/readrot.c b/src/kernel/readrot.c index bc5f258299..fe181ab503 100644 --- a/src/kernel/readrot.c +++ b/src/kernel/readrot.c @@ -1,34 +1,39 @@ /* - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/repl_ex.c b/src/kernel/repl_ex.c index ab5e4bdaf5..86878aa014 100644 --- a/src/kernel/repl_ex.c +++ b/src/kernel/repl_ex.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/repl_ex.h b/src/kernel/repl_ex.h index 30a726157b..316e96f335 100644 --- a/src/kernel/repl_ex.h +++ b/src/kernel/repl_ex.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _repl_ex_h diff --git a/src/kernel/resall.c b/src/kernel/resall.c index dfccca2718..7f7d45ee30 100644 --- a/src/kernel/resall.c +++ b/src/kernel/resall.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/runner.c b/src/kernel/runner.c index 0f6f6cdc15..1634cdef86 100644 --- a/src/kernel/runner.c +++ b/src/kernel/runner.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/sorting.c b/src/kernel/sorting.c index 7a5b04fbca..12e2ef9c3d 100644 --- a/src/kernel/sorting.c +++ b/src/kernel/sorting.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/sorting.h b/src/kernel/sorting.h index 159f50497f..08fcae5a4d 100644 --- a/src/kernel/sorting.h +++ b/src/kernel/sorting.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _sorting_h diff --git a/src/kernel/specbond.c b/src/kernel/specbond.c index 245be52b31..7504e782fb 100644 --- a/src/kernel/specbond.c +++ b/src/kernel/specbond.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/specbond.h b/src/kernel/specbond.h index c86e07a99a..de7a5b775b 100644 --- a/src/kernel/specbond.h +++ b/src/kernel/specbond.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _specbond_h diff --git a/src/kernel/ter_db.c b/src/kernel/ter_db.c index 0ff2a77433..412d3bcf4f 100644 --- a/src/kernel/ter_db.c +++ b/src/kernel/ter_db.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/ter_db.h b/src/kernel/ter_db.h index 0aae8caf52..bc86c2783d 100644 --- a/src/kernel/ter_db.h +++ b/src/kernel/ter_db.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _ter_db_h diff --git a/src/kernel/tomorse.c b/src/kernel/tomorse.c index de7fbf9b6a..c140d53c5a 100644 --- a/src/kernel/tomorse.c +++ b/src/kernel/tomorse.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/topdef.h b/src/kernel/topdef.h index a6f7e130fb..bbf79f7b33 100644 --- a/src/kernel/topdef.h +++ b/src/kernel/topdef.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _topdef_h diff --git a/src/kernel/topdirs.c b/src/kernel/topdirs.c index fe5e9acf50..898beed712 100644 --- a/src/kernel/topdirs.c +++ b/src/kernel/topdirs.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/topdirs.h b/src/kernel/topdirs.h index 296c9586a9..895e56e21a 100644 --- a/src/kernel/topdirs.h +++ b/src/kernel/topdirs.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _topdirs_h diff --git a/src/kernel/topexcl.c b/src/kernel/topexcl.c index 84cd16ec08..c8d70f3e67 100644 --- a/src/kernel/topexcl.c +++ b/src/kernel/topexcl.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/topexcl.h b/src/kernel/topexcl.h index 3395f156e7..446319a301 100644 --- a/src/kernel/topexcl.h +++ b/src/kernel/topexcl.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _topexcl_h diff --git a/src/kernel/topio.c b/src/kernel/topio.c index 37602df41f..ddc34e6601 100644 --- a/src/kernel/topio.c +++ b/src/kernel/topio.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/topio.h b/src/kernel/topio.h index eb4375fbfb..e475b8d17c 100644 --- a/src/kernel/topio.h +++ b/src/kernel/topio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _topio_h diff --git a/src/kernel/toppush.c b/src/kernel/toppush.c index 1ce51d0500..79b210f540 100644 --- a/src/kernel/toppush.c +++ b/src/kernel/toppush.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/toppush.h b/src/kernel/toppush.h index 38eb4e1f5f..164a660fa3 100644 --- a/src/kernel/toppush.h +++ b/src/kernel/toppush.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _toppush_h diff --git a/src/kernel/topshake.c b/src/kernel/topshake.c index 78961c5ea8..4b89c06dbe 100644 --- a/src/kernel/topshake.c +++ b/src/kernel/topshake.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/topshake.h b/src/kernel/topshake.h index 68a4f35582..d2ab88483f 100644 --- a/src/kernel/topshake.h +++ b/src/kernel/topshake.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _topshake_h diff --git a/src/kernel/toputil.c b/src/kernel/toputil.c index d9a318df01..68bee37c34 100644 --- a/src/kernel/toputil.c +++ b/src/kernel/toputil.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/tpbcmp.c b/src/kernel/tpbcmp.c index 6726299604..48901e3180 100644 --- a/src/kernel/tpbcmp.c +++ b/src/kernel/tpbcmp.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/kernel/tpbcmp.h b/src/kernel/tpbcmp.h index 6252c0b0f5..6cc12ba4ae 100644 --- a/src/kernel/tpbcmp.h +++ b/src/kernel/tpbcmp.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _tpbcmp_h diff --git a/src/kernel/tpbconv.c b/src/kernel/tpbconv.c index 3ad06a03c0..486dca0ac2 100644 --- a/src/kernel/tpbconv.c +++ b/src/kernel/tpbconv.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/vsite_parm.c b/src/kernel/vsite_parm.c index bcceb218a5..09c99b5a9b 100644 --- a/src/kernel/vsite_parm.c +++ b/src/kernel/vsite_parm.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/vsite_parm.h b/src/kernel/vsite_parm.h index b81ecb2781..2a273e93ea 100644 --- a/src/kernel/vsite_parm.h +++ b/src/kernel/vsite_parm.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _vsite_parm_h diff --git a/src/kernel/xlate.c b/src/kernel/xlate.c index 158e578735..951d60b753 100644 --- a/src/kernel/xlate.c +++ b/src/kernel/xlate.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/kernel/xlate.h b/src/kernel/xlate.h index 1d869eb160..2f11a30cad 100644 --- a/src/kernel/xlate.h +++ b/src/kernel/xlate.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xlate_h diff --git a/src/kernel/xmdrun.h b/src/kernel/xmdrun.h index 5470ff9793..c34e484e1f 100644 --- a/src/kernel/xmdrun.h +++ b/src/kernel/xmdrun.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xmdrun_h diff --git a/src/kernel/xutils.c b/src/kernel/xutils.c index 5093724770..70d035f6c1 100644 --- a/src/kernel/xutils.c +++ b/src/kernel/xutils.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/CMakeLists.txt b/src/mdlib/CMakeLists.txt index cce39574e7..54f236e056 100644 --- a/src/mdlib/CMakeLists.txt +++ b/src/mdlib/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# # The nbnxn kernel files take the longest time to compile, so we sneak # them in first to take best advantage of make-time parallelisation. file(GLOB MDLIB_SOURCES nbnxn_kernels/*.c *.c) diff --git a/src/mdlib/adress.c b/src/mdlib/adress.c index b5c9032454..ef4d8ffa47 100644 --- a/src/mdlib/adress.c +++ b/src/mdlib/adress.c @@ -1,36 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.0.5 - * Written by Christoph Junghans, Brad Lambeth, and possibly others. * Copyright (c) 2009 Christoph Junghans, Brad Lambeth. - * All rights reserved. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #include "adress.h" diff --git a/src/mdlib/adress.h b/src/mdlib/adress.h index c14fd10dac..5706ea0d17 100644 --- a/src/mdlib/adress.h +++ b/src/mdlib/adress.h @@ -1,36 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.0.5 - * Written by Christoph Junghans, Brad Lambeth, and possibly others. * Copyright (c) 2009 Christoph Junghans, Brad Lambeth. - * All rights reserved. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _adress_h_ diff --git a/src/mdlib/calcmu.c b/src/mdlib/calcmu.c index c3de19f571..90c632b35d 100644 --- a/src/mdlib/calcmu.c +++ b/src/mdlib/calcmu.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/calcvir.c b/src/mdlib/calcvir.c index 6a15a76dcd..29bae53fbd 100644 --- a/src/mdlib/calcvir.c +++ b/src/mdlib/calcvir.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/clincs.c b/src/mdlib/clincs.c index 46b55b15f7..adb1a7c993 100644 --- a/src/mdlib/clincs.c +++ b/src/mdlib/clincs.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/constr.c b/src/mdlib/constr.c index d7e0ea9581..eb92debad5 100644 --- a/src/mdlib/constr.c +++ b/src/mdlib/constr.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/coupling.c b/src/mdlib/coupling.c index aaef4f57f7..c9a83119a0 100644 --- a/src/mdlib/coupling.c +++ b/src/mdlib/coupling.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/csettle.c b/src/mdlib/csettle.c index 825438c1d7..02ff5bfc9c 100644 --- a/src/mdlib/csettle.c +++ b/src/mdlib/csettle.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/domdec.c b/src/mdlib/domdec.c index 320002ef6c..74940478d7 100644 --- a/src/mdlib/domdec.c +++ b/src/mdlib/domdec.c @@ -1,19 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of Gromacs Copyright (c) 1991-2008 - * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 1991-2008 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/domdec_box.c b/src/mdlib/domdec_box.c index a13f6022ec..871dcf5297 100644 --- a/src/mdlib/domdec_box.c +++ b/src/mdlib/domdec_box.c @@ -1,19 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of Gromacs Copyright (c) 1991-2008 - * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 1991-2008 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/domdec_con.c b/src/mdlib/domdec_con.c index 60d50916c2..0323da42a8 100644 --- a/src/mdlib/domdec_con.c +++ b/src/mdlib/domdec_con.c @@ -1,19 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of Gromacs Copyright (c) 1991-2008 - * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 1991-2008 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/domdec_network.c b/src/mdlib/domdec_network.c index c835cba064..b304730537 100644 --- a/src/mdlib/domdec_network.c +++ b/src/mdlib/domdec_network.c @@ -1,19 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of Gromacs Copyright (c) 1991-2008 - * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 1991-2008 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/domdec_setup.c b/src/mdlib/domdec_setup.c index bd771a5045..28dbecbcad 100644 --- a/src/mdlib/domdec_setup.c +++ b/src/mdlib/domdec_setup.c @@ -1,19 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of Gromacs Copyright (c) 1991-2008 - * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 1991-2008 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/domdec_top.c b/src/mdlib/domdec_top.c index 4aa1ce2f66..395216b43f 100644 --- a/src/mdlib/domdec_top.c +++ b/src/mdlib/domdec_top.c @@ -1,19 +1,37 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This file is part of Gromacs Copyright (c) 1991-2008 - * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen. + * Copyright (c) 1991-2008 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/ebin.c b/src/mdlib/ebin.c index a4322845b5..4ee99c0841 100644 --- a/src/mdlib/ebin.c +++ b/src/mdlib/ebin.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/edsam.c b/src/mdlib/edsam.c index 3101f68eb9..80f2cd6334 100644 --- a/src/mdlib/edsam.c +++ b/src/mdlib/edsam.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/ewald.c b/src/mdlib/ewald.c index 4390ed6637..70414cf6e6 100644 --- a/src/mdlib/ewald.c +++ b/src/mdlib/ewald.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/expanded.c b/src/mdlib/expanded.c index 4421198d0e..78647ebde5 100644 --- a/src/mdlib/expanded.c +++ b/src/mdlib/expanded.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/fft5d.c b/src/mdlib/fft5d.c index 9211d148bb..ef1d5ff88d 100644 --- a/src/mdlib/fft5d.c +++ b/src/mdlib/fft5d.c @@ -1,35 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/fft5d.h b/src/mdlib/fft5d.h index cfc7c9328c..99ceba34e4 100644 --- a/src/mdlib/fft5d.h +++ b/src/mdlib/fft5d.h @@ -1,35 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef FFT5D_H_ diff --git a/src/mdlib/fftpack.c b/src/mdlib/fftpack.c index 606b6c6cf7..ec1e7d2901 100644 --- a/src/mdlib/fftpack.c +++ b/src/mdlib/fftpack.c @@ -1,35 +1,41 @@ /* - - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* ************************************************************ diff --git a/src/mdlib/fftpack.h b/src/mdlib/fftpack.h index bb9b86d014..f32b3adda1 100644 --- a/src/mdlib/fftpack.h +++ b/src/mdlib/fftpack.h @@ -1,37 +1,40 @@ /* - - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation - - ************************************************************/ + * the research papers on the package. Check out http://www.gromacs.org. + */ #include "types/simple.h" diff --git a/src/mdlib/force.c b/src/mdlib/force.c index 2432b763c4..7b6500a100 100644 --- a/src/mdlib/force.c +++ b/src/mdlib/force.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/forcerec.c b/src/mdlib/forcerec.c index af40936dfb..6c3665f6d8 100644 --- a/src/mdlib/forcerec.c +++ b/src/mdlib/forcerec.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/genborn.c b/src/mdlib/genborn.c index 4a0905cbe3..ae95462fcb 100644 --- a/src/mdlib/genborn.c +++ b/src/mdlib/genborn.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/genborn_allvsall.c b/src/mdlib/genborn_allvsall.c index 36111bef22..608308c81b 100644 --- a/src/mdlib/genborn_allvsall.c +++ b/src/mdlib/genborn_allvsall.c @@ -1,31 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/genborn_allvsall.h b/src/mdlib/genborn_allvsall.h index da6bef9d26..ea0a5baf26 100644 --- a/src/mdlib/genborn_allvsall.h +++ b/src/mdlib/genborn_allvsall.h @@ -1,31 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GENBORN_ALLVSALL_H #define _GENBORN_ALLVSALL_H diff --git a/src/mdlib/genborn_allvsall_sse2_double.c b/src/mdlib/genborn_allvsall_sse2_double.c index 6990a58ee8..c219485666 100644 --- a/src/mdlib/genborn_allvsall_sse2_double.c +++ b/src/mdlib/genborn_allvsall_sse2_double.c @@ -1,31 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/genborn_allvsall_sse2_double.h b/src/mdlib/genborn_allvsall_sse2_double.h index ff925fa7fd..a38d724f93 100644 --- a/src/mdlib/genborn_allvsall_sse2_double.h +++ b/src/mdlib/genborn_allvsall_sse2_double.h @@ -1,31 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GENBORN_ALLVSALL_SSE2_DOUBLE_H #define _GENBORN_ALLVSALL_SSE2_DOUBLE_H diff --git a/src/mdlib/genborn_allvsall_sse2_single.c b/src/mdlib/genborn_allvsall_sse2_single.c index d8bced605a..7755524790 100644 --- a/src/mdlib/genborn_allvsall_sse2_single.c +++ b/src/mdlib/genborn_allvsall_sse2_single.c @@ -1,31 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/genborn_allvsall_sse2_single.h b/src/mdlib/genborn_allvsall_sse2_single.h index b00e95b1cc..28a31cbdf4 100644 --- a/src/mdlib/genborn_allvsall_sse2_single.h +++ b/src/mdlib/genborn_allvsall_sse2_single.h @@ -1,31 +1,37 @@ /* - * This source code is part of - * - * G R O M A C S + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. - * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _GENBORN_ALLVSALL_SSE2_SINGLE_H #define _GENBORN_ALLVSALL_SSE2_SINGLE_H diff --git a/src/mdlib/genborn_sse2_double.c b/src/mdlib/genborn_sse2_double.c index dfa896945a..c2b511b53c 100644 --- a/src/mdlib/genborn_sse2_double.c +++ b/src/mdlib/genborn_sse2_double.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/genborn_sse2_double.h b/src/mdlib/genborn_sse2_double.h index 44c54f13da..f043e23d0f 100644 --- a/src/mdlib/genborn_sse2_double.h +++ b/src/mdlib/genborn_sse2_double.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _genborn_sse2_double_h #define _genborn_sse2_double_h diff --git a/src/mdlib/genborn_sse2_single.c b/src/mdlib/genborn_sse2_single.c index e6af1f79a5..b0d493b882 100644 --- a/src/mdlib/genborn_sse2_single.c +++ b/src/mdlib/genborn_sse2_single.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/genborn_sse2_single.h b/src/mdlib/genborn_sse2_single.h index 007e64224a..1fce0b3016 100644 --- a/src/mdlib/genborn_sse2_single.h +++ b/src/mdlib/genborn_sse2_single.h @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _genborn_sse_h #define _genborn_sse_h diff --git a/src/mdlib/gmx_fft.c b/src/mdlib/gmx_fft.c index c07a0c3f83..7cb3b8f667 100644 --- a/src/mdlib/gmx_fft.c +++ b/src/mdlib/gmx_fft.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * +/* + * This file is part of the GROMACS molecular simulation package. * * Gromacs 4.0 Copyright (c) 1991-2003 * Erik Lindahl, David van der Spoel, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/gmx_fft_acml.c b/src/mdlib/gmx_fft_acml.c index 160e4c0600..ae307a5d07 100644 --- a/src/mdlib/gmx_fft_acml.c +++ b/src/mdlib/gmx_fft_acml.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * +/* + * This file is part of the GROMACS molecular simulation package. * * Gromacs 4.0 Copyright (c) 1991-2003 * David van der Spoel, Erik Lindahl, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * And Hey: - * Grim Ragnarok Overthrows Midgard Amidst Cursing Silence + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/gmx_fft_fftpack.c b/src/mdlib/gmx_fft_fftpack.c index 3462033889..b7f8b3458b 100644 --- a/src/mdlib/gmx_fft_fftpack.c +++ b/src/mdlib/gmx_fft_fftpack.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * +/* + * This file is part of the GROMACS molecular simulation package. * * Gromacs 4.0 Copyright (c) 1991-2003 * David van der Spoel, Erik Lindahl, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/gmx_fft_fftw3.c b/src/mdlib/gmx_fft_fftw3.c index f63d140fdf..6b56a8beb3 100644 --- a/src/mdlib/gmx_fft_fftw3.c +++ b/src/mdlib/gmx_fft_fftw3.c @@ -1,18 +1,38 @@ /* + * This file is part of the GROMACS molecular simulation package. * * Gromacs 4.0 Copyright (c) 1991-2003 * David van der Spoel, Erik Lindahl, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/gmx_fft_mkl.c b/src/mdlib/gmx_fft_mkl.c index 8f4cd4d0db..a8fe65dab7 100644 --- a/src/mdlib/gmx_fft_mkl.c +++ b/src/mdlib/gmx_fft_mkl.c @@ -1,19 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * +/* + * This file is part of the GROMACS molecular simulation package. * * Gromacs 4.0 Copyright (c) 1991-2003 * David van der Spoel, Erik Lindahl, University of Groningen. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the research papers on the package. Check out http://www.gromacs.org - * - * And Hey: - * Gnomes, ROck Monsters And Chili Sauce + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/gmx_parallel_3dfft.c b/src/mdlib/gmx_parallel_3dfft.c index fef1ac6083..f65133c184 100644 --- a/src/mdlib/gmx_parallel_3dfft.c +++ b/src/mdlib/gmx_parallel_3dfft.c @@ -1,20 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- -* -* -* Gromacs Copyright (c) 1991-2005 +/* + * This file is part of the GROMACS molecular simulation package. + * + * Copyright (c) 1991-2005 * David van der Spoel, Erik Lindahl, University of Groningen. -* -* This program is free software; you can redistribute it and/or -* modify it under the terms of the GNU General Public License -* as published by the Free Software Foundation; either version 2 -* of the License, or (at your option) any later version. -* -* To help us fund GROMACS development, we humbly ask that you cite -* the research papers on the package. Check out http://www.gromacs.org -* -* And Hey: -* Gnomes, ROck Monsters And Chili Sauce -*/ + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ #ifdef HAVE_CONFIG_H #include #endif diff --git a/src/mdlib/gmx_wallcycle.c b/src/mdlib/gmx_wallcycle.c index 230ead9eb4..4b3c1ec4ec 100644 --- a/src/mdlib/gmx_wallcycle.c +++ b/src/mdlib/gmx_wallcycle.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/src/mdlib/groupcoord.c b/src/mdlib/groupcoord.c index 2f46d5c60f..1eb2de380d 100644 --- a/src/mdlib/groupcoord.c +++ b/src/mdlib/groupcoord.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/groupcoord.h b/src/mdlib/groupcoord.h index 989068a9f8..ba6f937ba7 100644 --- a/src/mdlib/groupcoord.h +++ b/src/mdlib/groupcoord.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file groupcoord.h diff --git a/src/mdlib/init.c b/src/mdlib/init.c index 2219580e0e..4badaf7a02 100644 --- a/src/mdlib/init.c +++ b/src/mdlib/init.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/iteratedconstraints.c b/src/mdlib/iteratedconstraints.c index 33851e0bd3..4c17f1077e 100644 --- a/src/mdlib/iteratedconstraints.c +++ b/src/mdlib/iteratedconstraints.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/md_support.c b/src/mdlib/md_support.c index 5c098bbdfd..7d27271232 100644 --- a/src/mdlib/md_support.c +++ b/src/mdlib/md_support.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/mdatom.c b/src/mdlib/mdatom.c index 826df3160a..91d24b1fc7 100644 --- a/src/mdlib/mdatom.c +++ b/src/mdlib/mdatom.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/mdebin.c b/src/mdlib/mdebin.c index 8255c6ad8b..835b85a14d 100644 --- a/src/mdlib/mdebin.c +++ b/src/mdlib/mdebin.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/mdebin_bar.c b/src/mdlib/mdebin_bar.c index f496f68b30..09897df369 100644 --- a/src/mdlib/mdebin_bar.c +++ b/src/mdlib/mdebin_bar.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/mdebin_bar.h b/src/mdlib/mdebin_bar.h index bb4ffd21ed..c698b55082 100644 --- a/src/mdlib/mdebin_bar.h +++ b/src/mdlib/mdebin_bar.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _mdebin_bar_h diff --git a/src/mdlib/minimize.c b/src/mdlib/minimize.c index 5c6aec2a79..4bd7d01f69 100644 --- a/src/mdlib/minimize.c +++ b/src/mdlib/minimize.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/mvxvf.c b/src/mdlib/mvxvf.c index 9f91cc217e..1114eaa7d7 100644 --- a/src/mdlib/mvxvf.c +++ b/src/mdlib/mvxvf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/nbnxn_atomdata.c b/src/mdlib/nbnxn_atomdata.c index 22c315bdb3..b8c38aa27d 100644 --- a/src/mdlib/nbnxn_atomdata.c +++ b/src/mdlib/nbnxn_atomdata.c @@ -1,33 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/nbnxn_atomdata.h b/src/mdlib/nbnxn_atomdata.h index f3bd1b7fa2..61c773c69b 100644 --- a/src/mdlib/nbnxn_atomdata.h +++ b/src/mdlib/nbnxn_atomdata.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustr +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_atomdata_h diff --git a/src/mdlib/nbnxn_consts.h b/src/mdlib/nbnxn_consts.h index fe863769ed..8af09084b4 100644 --- a/src/mdlib/nbnxn_consts.h +++ b/src/mdlib/nbnxn_consts.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_consts_h diff --git a/src/mdlib/nbnxn_cuda/CMakeLists.txt b/src/mdlib/nbnxn_cuda/CMakeLists.txt index b42694bf9f..ddf2719dab 100644 --- a/src/mdlib/nbnxn_cuda/CMakeLists.txt +++ b/src/mdlib/nbnxn_cuda/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# if(GMX_GPU) file(GLOB CUDA_NB_SOURCES *.cu) CUDA_INCLUDE_DIRECTORIES(${CMAKE_CURRENT_SOURCE_DIR}) diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda.cu b/src/mdlib/nbnxn_cuda/nbnxn_cuda.cu index 09e53c24b3..98d28f96b7 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda.cu +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda.cu @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #include diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda.h b/src/mdlib/nbnxn_cuda/nbnxn_cuda.h index 6eb2d970e3..3ad8548a49 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda.h +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef NBNXN_CUDA_H diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu b/src/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu index a323b95c3e..57f3bd09d2 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh index 11ab258d9e..96c03019a0 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #include "maths.h" diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_legacy.cuh b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_legacy.cuh index 6891d13bb7..93baef6260 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_legacy.cuh +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_legacy.cuh @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations +/* + * This file is part of the GROMACS molecular simulation package. * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #include "maths.h" diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_utils.cuh b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_utils.cuh index 610be4571d..9d49d9c85d 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_utils.cuh +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_utils.cuh @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* Note that floating-point constants in CUDA code should be suffixed diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh index a18f905bbf..661c7b53a3 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file diff --git a/src/mdlib/nbnxn_cuda/nbnxn_cuda_types.h b/src/mdlib/nbnxn_cuda/nbnxn_cuda_types.h index 63df03d1a6..da2cf3e3ea 100644 --- a/src/mdlib/nbnxn_cuda/nbnxn_cuda_types.h +++ b/src/mdlib/nbnxn_cuda/nbnxn_cuda_types.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef NBNXN_CUDA_TYPES_H diff --git a/src/mdlib/nbnxn_internal.h b/src/mdlib/nbnxn_internal.h index bfcf1277e5..692e8c4f63 100644 --- a/src/mdlib/nbnxn_internal.h +++ b/src/mdlib/nbnxn_internal.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustr +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_internal_h diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.c b/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.c index 442938e675..28885ef5ca 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.c +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.c @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.h index 716ed7f718..14d64feaf9 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_common.h @@ -1,34 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_kernel_common_h diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.c b/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.c index 918c92b039..eb43ab3bad 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.c +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.h index 0ac60cd8b3..29be73ae04 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.h @@ -1,34 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_kernel_gpu_ref_h diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c index b3b95c9c1c..e6b5331b9b 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.c @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.h index ab6a7ddd66..59247ab896 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref.h @@ -1,34 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_kernel_ref_h diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_inner.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_inner.h index 534c07861e..b7b3affdf7 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_inner.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_inner.h @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* When calculating RF or Ewald interactions we calculate the electrostatic diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h index f248d3c121..97a0ef84b9 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #define UNROLLI NBNXN_CPU_CLUSTER_I_SIZE diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.c b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.c index bdbe504e12..02d80c98cb 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.c +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.h index 5488bfa22f..9dd757dd75 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd128.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_kernel_x86_simd128_h #define _nbnxn_kernel_x86_simd128_h diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.c b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.c index 89aac413cb..122eff6ebe 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.c +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.h index d2246c9351..9a8e53c902 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd256.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_kernel_x86_simd256_h #define _nbnxn_kernel_x86_simd256_h diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_includes.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_includes.h index 936c8aa802..15c52fb097 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_includes.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_includes.h @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* This files includes all x86 SIMD kernel flavors. diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_inner.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_inner.h index 2001e07acb..f1a0b9ccc8 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_inner.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_inner.h @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* This is the innermost loop contents for the n vs n atom diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_outer.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_outer.h index 91607eb4ee..0644f9776c 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_outer.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_outer.h @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* GMX_MM128_HERE or GMX_MM256_HERE should be set before including this file */ diff --git a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_utils.h b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_utils.h index 2624c30d3e..0010a4fbe2 100644 --- a/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_utils.h +++ b/src/mdlib/nbnxn_kernels/nbnxn_kernel_x86_simd_utils.h @@ -1,33 +1,38 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S +/* + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS Development Team + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. - * As a special exception, you may use this file as part of a free software - * library without restriction. Specifically, if other files instantiate - * templates or use macros or inline functions from this file, or you compile - * this file and link it with other files to produce an executable, this - * file does not by itself cause the resulting executable to be covered by - * the GNU Lesser General Public License. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * In plain-speak: do not worry about classes/macros/templates either - only - * changes to the library have to be LGPL, not an application linking with it. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website! + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_kernel_sse_utils_h_ #define _nbnxn_kernel_sse_utils_h_ diff --git a/src/mdlib/nbnxn_search.c b/src/mdlib/nbnxn_search.c index 8441ccce62..f674699423 100644 --- a/src/mdlib/nbnxn_search.c +++ b/src/mdlib/nbnxn_search.c @@ -1,33 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/nbnxn_search.h b/src/mdlib/nbnxn_search.h index 1d27f4257b..70a8af1525 100644 --- a/src/mdlib/nbnxn_search.h +++ b/src/mdlib/nbnxn_search.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustr +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nbnxn_search_h diff --git a/src/mdlib/nbnxn_search_x86_simd.h b/src/mdlib/nbnxn_search_x86_simd.h index eb962590e1..a6af973d8a 100644 --- a/src/mdlib/nbnxn_search_x86_simd.h +++ b/src/mdlib/nbnxn_search_x86_simd.h @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* GMX_MM128_HERE or GMX_MM256_HERE should be set before including this file. diff --git a/src/mdlib/nlistheuristics.c b/src/mdlib/nlistheuristics.c index cddfca5acf..9f50a7fee5 100644 --- a/src/mdlib/nlistheuristics.c +++ b/src/mdlib/nlistheuristics.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/ns.c b/src/mdlib/ns.c index abaa1b91e2..27722f06ee 100644 --- a/src/mdlib/ns.c +++ b/src/mdlib/ns.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/nsgrid.c b/src/mdlib/nsgrid.c index b8b6261d98..c2e66a860c 100644 --- a/src/mdlib/nsgrid.c +++ b/src/mdlib/nsgrid.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/partdec.c b/src/mdlib/partdec.c index 1837d21f07..33eff8b83c 100644 --- a/src/mdlib/partdec.c +++ b/src/mdlib/partdec.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/perf_est.c b/src/mdlib/perf_est.c index 3f30f596fe..523813cd2e 100644 --- a/src/mdlib/perf_est.c +++ b/src/mdlib/perf_est.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/pme.c b/src/mdlib/pme.c index 5ff27d7e0e..397a693fd2 100644 --- a/src/mdlib/pme.c +++ b/src/mdlib/pme.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /* IMPORTANT FOR DEVELOPERS: * diff --git a/src/mdlib/pme_pp.c b/src/mdlib/pme_pp.c index c08cdeebf3..bfbfa9e42f 100644 --- a/src/mdlib/pme_pp.c +++ b/src/mdlib/pme_pp.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/pme_sse_single.h b/src/mdlib/pme_sse_single.h index 7d1623528e..668487448a 100644 --- a/src/mdlib/pme_sse_single.h +++ b/src/mdlib/pme_sse_single.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This include file has code between ifdef's to make sure diff --git a/src/mdlib/pull.c b/src/mdlib/pull.c index b0512efafd..17c46dcca4 100644 --- a/src/mdlib/pull.c +++ b/src/mdlib/pull.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/pull_rotation.c b/src/mdlib/pull_rotation.c index 1ade3ac65a..e2a260ef57 100644 --- a/src/mdlib/pull_rotation.c +++ b/src/mdlib/pull_rotation.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/pullutil.c b/src/mdlib/pullutil.c index 43fc0434dd..c04e78bdb4 100644 --- a/src/mdlib/pullutil.c +++ b/src/mdlib/pullutil.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/qm_gamess.c b/src/mdlib/qm_gamess.c index 002dbdd191..4ad9631afb 100644 --- a/src/mdlib/qm_gamess.c +++ b/src/mdlib/qm_gamess.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/qm_gaussian.c b/src/mdlib/qm_gaussian.c index 5b44c33dc4..8bcf310f23 100644 --- a/src/mdlib/qm_gaussian.c +++ b/src/mdlib/qm_gaussian.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/qm_mopac.c b/src/mdlib/qm_mopac.c index dc74da5382..03f35a79fa 100644 --- a/src/mdlib/qm_mopac.c +++ b/src/mdlib/qm_mopac.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/qm_orca.c b/src/mdlib/qm_orca.c index ddf3875975..65a7c38c96 100644 --- a/src/mdlib/qm_orca.c +++ b/src/mdlib/qm_orca.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/qmmm.c b/src/mdlib/qmmm.c index 9232f50e03..efdef77dd7 100644 --- a/src/mdlib/qmmm.c +++ b/src/mdlib/qmmm.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/rf_util.c b/src/mdlib/rf_util.c index 5da21be973..bcce27fde0 100644 --- a/src/mdlib/rf_util.c +++ b/src/mdlib/rf_util.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/shakef.c b/src/mdlib/shakef.c index 9adf0a38ce..df278de7cf 100644 --- a/src/mdlib/shakef.c +++ b/src/mdlib/shakef.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/shellfc.c b/src/mdlib/shellfc.c index 86ee3c05aa..c6bf7d4a65 100644 --- a/src/mdlib/shellfc.c +++ b/src/mdlib/shellfc.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/sim_util.c b/src/mdlib/sim_util.c index 8d8cd81f05..b57d35cf4d 100644 --- a/src/mdlib/sim_util.c +++ b/src/mdlib/sim_util.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations +/* + * This file is part of the GROMACS molecular simulation package. * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/stat.c b/src/mdlib/stat.c index 88dbfef23d..aa4a5a7f04 100644 --- a/src/mdlib/stat.c +++ b/src/mdlib/stat.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/tables.c b/src/mdlib/tables.c index e41f7c8db7..202a1a5b2c 100644 --- a/src/mdlib/tables.c +++ b/src/mdlib/tables.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/tgroup.c b/src/mdlib/tgroup.c index 262abf2f59..24d1a589aa 100644 --- a/src/mdlib/tgroup.c +++ b/src/mdlib/tgroup.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/tpi.c b/src/mdlib/tpi.c index 9a08e4ba35..4bc37d9b4e 100644 --- a/src/mdlib/tpi.c +++ b/src/mdlib/tpi.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/update.c b/src/mdlib/update.c index 932fc34f22..ff7d08fff0 100644 --- a/src/mdlib/update.c +++ b/src/mdlib/update.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/vcm.c b/src/mdlib/vcm.c index dacdf70790..a9a6b5dc30 100644 --- a/src/mdlib/vcm.c +++ b/src/mdlib/vcm.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/vsite.c b/src/mdlib/vsite.c index 86e364424e..c34685b809 100644 --- a/src/mdlib/vsite.c +++ b/src/mdlib/vsite.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/mdlib/wall.c b/src/mdlib/wall.c index dd69de4b78..6269b3ab58 100644 --- a/src/mdlib/wall.c +++ b/src/mdlib/wall.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/mdlib/wnblist.c b/src/mdlib/wnblist.c index a1a4932d25..6bb5bd2acd 100644 --- a/src/mdlib/wnblist.c +++ b/src/mdlib/wnblist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * GROwing Monsters And Cloning Shrimps + * the research papers on the package. Check out http://www.gromacs.org. */ /* This file is completely threadsafe - keep it that way! */ #ifdef HAVE_CONFIG_H diff --git a/src/ngmx/CMakeLists.txt b/src/ngmx/CMakeLists.txt index d5e7fbddbc..38a35db713 100644 --- a/src/ngmx/CMakeLists.txt +++ b/src/ngmx/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# if(X11_FOUND) set(NGMX_COMMON_SOURCE diff --git a/src/ngmx/Xstuff.h b/src/ngmx/Xstuff.h index 2d3eb5e7db..0be599e83c 100644 --- a/src/ngmx/Xstuff.h +++ b/src/ngmx/Xstuff.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _Xstuff_h diff --git a/src/ngmx/buttons.c b/src/ngmx/buttons.c index 6c6fd918e2..baeac635eb 100644 --- a/src/ngmx/buttons.c +++ b/src/ngmx/buttons.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/buttons.h b/src/ngmx/buttons.h index 7a7c85c314..671ebe586c 100644 --- a/src/ngmx/buttons.h +++ b/src/ngmx/buttons.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _buttons_h diff --git a/src/ngmx/dialogs.c b/src/ngmx/dialogs.c index c6245720ff..88abac6676 100644 --- a/src/ngmx/dialogs.c +++ b/src/ngmx/dialogs.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/dialogs.h b/src/ngmx/dialogs.h index 823d67dab9..99579c573d 100644 --- a/src/ngmx/dialogs.h +++ b/src/ngmx/dialogs.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _dialogs_h diff --git a/src/ngmx/fgrid.c b/src/ngmx/fgrid.c index dae850b661..8ff61d74e2 100644 --- a/src/ngmx/fgrid.c +++ b/src/ngmx/fgrid.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/fgrid.h b/src/ngmx/fgrid.h index fded06b1ee..2c9d18dc76 100644 --- a/src/ngmx/fgrid.h +++ b/src/ngmx/fgrid.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _fgrid_h diff --git a/src/ngmx/filter.c b/src/ngmx/filter.c index 038d423368..1e0d44c88b 100644 --- a/src/ngmx/filter.c +++ b/src/ngmx/filter.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/g_highway.c b/src/ngmx/g_highway.c index b0cc14f81e..1bcbcaec50 100644 --- a/src/ngmx/g_highway.c +++ b/src/ngmx/g_highway.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/g_logo.c b/src/ngmx/g_logo.c index 016170609f..ddcc361fc9 100644 --- a/src/ngmx/g_logo.c +++ b/src/ngmx/g_logo.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/g_showcol.c b/src/ngmx/g_showcol.c index 85e685c9c7..2af2cfa5bf 100644 --- a/src/ngmx/g_showcol.c +++ b/src/ngmx/g_showcol.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/g_xrama.c b/src/ngmx/g_xrama.c index 563a13fa56..a13ec9e74a 100644 --- a/src/ngmx/g_xrama.c +++ b/src/ngmx/g_xrama.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/logo.c b/src/ngmx/logo.c index 8525257131..285f08b00c 100644 --- a/src/ngmx/logo.c +++ b/src/ngmx/logo.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/logo.h b/src/ngmx/logo.h index 21f825df2e..b8df9e2b74 100644 --- a/src/ngmx/logo.h +++ b/src/ngmx/logo.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _logo_h diff --git a/src/ngmx/manager.c b/src/ngmx/manager.c index 23f883189f..396cd7a6e3 100644 --- a/src/ngmx/manager.c +++ b/src/ngmx/manager.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/manager.h b/src/ngmx/manager.h index 7b2aa4e469..e5d44b9ea2 100644 --- a/src/ngmx/manager.h +++ b/src/ngmx/manager.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _manager_h diff --git a/src/ngmx/molps.c b/src/ngmx/molps.c index d3af044d1a..aac1cd6383 100644 --- a/src/ngmx/molps.c +++ b/src/ngmx/molps.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/molps.h b/src/ngmx/molps.h index d1fc9c413c..7d97908b5d 100644 --- a/src/ngmx/molps.h +++ b/src/ngmx/molps.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _molps_h diff --git a/src/ngmx/ngmx.c b/src/ngmx/ngmx.c index 1fca2e61a9..5711c92806 100644 --- a/src/ngmx/ngmx.c +++ b/src/ngmx/ngmx.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/nleg.c b/src/ngmx/nleg.c index dbb4d17f22..cce8dc14ee 100644 --- a/src/ngmx/nleg.c +++ b/src/ngmx/nleg.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/nleg.h b/src/ngmx/nleg.h index b01e62e0ec..78edd262b1 100644 --- a/src/ngmx/nleg.h +++ b/src/ngmx/nleg.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nleg_h diff --git a/src/ngmx/nmol.c b/src/ngmx/nmol.c index ecf5879ae4..4ddece5dff 100644 --- a/src/ngmx/nmol.c +++ b/src/ngmx/nmol.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/nmol.h b/src/ngmx/nmol.h index f39fec742c..4723657caf 100644 --- a/src/ngmx/nmol.h +++ b/src/ngmx/nmol.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nmol_h diff --git a/src/ngmx/popup.c b/src/ngmx/popup.c index 9df9fe9440..5954b4bf21 100644 --- a/src/ngmx/popup.c +++ b/src/ngmx/popup.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/popup.h b/src/ngmx/popup.h index ef39f7d8a1..d7ad201ca0 100644 --- a/src/ngmx/popup.h +++ b/src/ngmx/popup.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _popup_h diff --git a/src/ngmx/pulldown.c b/src/ngmx/pulldown.c index a6d98e1edf..a9d2f52c64 100644 --- a/src/ngmx/pulldown.c +++ b/src/ngmx/pulldown.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/pulldown.h b/src/ngmx/pulldown.h index c7c6b85fdd..259c570767 100644 --- a/src/ngmx/pulldown.h +++ b/src/ngmx/pulldown.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pulldown_h diff --git a/src/ngmx/test_ngmx_dialog.c b/src/ngmx/test_ngmx_dialog.c index a23c83d3c6..24b07e9b7e 100644 --- a/src/ngmx/test_ngmx_dialog.c +++ b/src/ngmx/test_ngmx_dialog.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/vbox.c b/src/ngmx/vbox.c index 8af701379d..0d626003bb 100644 --- a/src/ngmx/vbox.c +++ b/src/ngmx/vbox.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/x11.c b/src/ngmx/x11.c index 0af58b4fc8..31b099634a 100644 --- a/src/ngmx/x11.c +++ b/src/ngmx/x11.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/x11.h b/src/ngmx/x11.h index 66901b66d7..ac0f3bc0a7 100644 --- a/src/ngmx/x11.h +++ b/src/ngmx/x11.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _x11_h diff --git a/src/ngmx/xdlg.c b/src/ngmx/xdlg.c index a1f4e526c1..ec53bb8779 100644 --- a/src/ngmx/xdlg.c +++ b/src/ngmx/xdlg.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/xdlg.h b/src/ngmx/xdlg.h index 05f4f9b54f..5bc525cf42 100644 --- a/src/ngmx/xdlg.h +++ b/src/ngmx/xdlg.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xdlg_h diff --git a/src/ngmx/xdlghi.c b/src/ngmx/xdlghi.c index db304c940e..16b42d3c6b 100644 --- a/src/ngmx/xdlghi.c +++ b/src/ngmx/xdlghi.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/xdlghi.h b/src/ngmx/xdlghi.h index 7e9ed807ab..3267ec184b 100644 --- a/src/ngmx/xdlghi.h +++ b/src/ngmx/xdlghi.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xdlghi_h diff --git a/src/ngmx/xdlgitem.c b/src/ngmx/xdlgitem.c index 9fe689a6e4..7fe3c9347d 100644 --- a/src/ngmx/xdlgitem.c +++ b/src/ngmx/xdlgitem.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/xdlgitem.h b/src/ngmx/xdlgitem.h index 012f8ca81a..b11c2c283a 100644 --- a/src/ngmx/xdlgitem.h +++ b/src/ngmx/xdlgitem.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xdlgitem_h diff --git a/src/ngmx/xmb.c b/src/ngmx/xmb.c index 6bfa648c86..2871e4f483 100644 --- a/src/ngmx/xmb.c +++ b/src/ngmx/xmb.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/xmb.h b/src/ngmx/xmb.h index b661c4eb09..5b4c5f90b3 100644 --- a/src/ngmx/xmb.h +++ b/src/ngmx/xmb.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xmb_h diff --git a/src/ngmx/xstat.c b/src/ngmx/xstat.c index 257d802f04..0c98d7ddd7 100644 --- a/src/ngmx/xstat.c +++ b/src/ngmx/xstat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/xutil.c b/src/ngmx/xutil.c index c5a9f7ea33..e2f468ed26 100644 --- a/src/ngmx/xutil.c +++ b/src/ngmx/xutil.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/ngmx/xutil.h b/src/ngmx/xutil.h index 0d34c52313..edbe8faa35 100644 --- a/src/ngmx/xutil.h +++ b/src/ngmx/xutil.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _xutil_h diff --git a/src/tools/CMakeLists.txt b/src/tools/CMakeLists.txt index c5be93178b..ab2b2e814d 100644 --- a/src/tools/CMakeLists.txt +++ b/src/tools/CMakeLists.txt @@ -1,3 +1,37 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# add_library(gmxana autocorr.c expfit.c polynomials.c levenmar.c diff --git a/src/tools/addconf.c b/src/tools/addconf.c index c799b750c4..50967b39cc 100644 --- a/src/tools/addconf.c +++ b/src/tools/addconf.c @@ -1,36 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/addconf.h b/src/tools/addconf.h index 8a382b62c5..0ee4c9423f 100644 --- a/src/tools/addconf.h +++ b/src/tools/addconf.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #include "typedefs.h" diff --git a/src/tools/anadih.c b/src/tools/anadih.c index 0a9f5a652e..4ec45ab1ac 100644 --- a/src/tools/anadih.c +++ b/src/tools/anadih.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/angstat.h b/src/tools/angstat.h index bac44eb4c7..0ab394e436 100644 --- a/src/tools/angstat.h +++ b/src/tools/angstat.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _angstat_h diff --git a/src/tools/autocorr.c b/src/tools/autocorr.c index 923427728f..91899a7d27 100644 --- a/src/tools/autocorr.c +++ b/src/tools/autocorr.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/binsearch.c b/src/tools/binsearch.c index 3801bffe47..2cd31384ba 100644 --- a/src/tools/binsearch.c +++ b/src/tools/binsearch.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * $Id: densorder.c,v 0.9 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/binsearch.h b/src/tools/binsearch.h index 973c5f2270..213cb6acb1 100644 --- a/src/tools/binsearch.h +++ b/src/tools/binsearch.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * $Id: densorder.c,v 0.9 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _binsearch_h diff --git a/src/tools/calcpot.c b/src/tools/calcpot.c index 96e359fd9d..97e54fd3b1 100644 --- a/src/tools/calcpot.c +++ b/src/tools/calcpot.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/calcpot.h b/src/tools/calcpot.h index a9ae7533d0..dd5e08de4a 100644 --- a/src/tools/calcpot.h +++ b/src/tools/calcpot.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ extern FILE *init_calcpot(const char *log,const char *tpx,const char *table, diff --git a/src/tools/cmat.c b/src/tools/cmat.c index 1c84216807..22455cc181 100644 --- a/src/tools/cmat.c +++ b/src/tools/cmat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/cmat.h b/src/tools/cmat.h index d45afb0b50..49c7ae5c2d 100644 --- a/src/tools/cmat.h +++ b/src/tools/cmat.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _cmat_h diff --git a/src/tools/correl.c b/src/tools/correl.c index 3e042f7990..34306e4df1 100644 --- a/src/tools/correl.c +++ b/src/tools/correl.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/correl.h b/src/tools/correl.h index 39fd05917c..12455a8f8a 100644 --- a/src/tools/correl.h +++ b/src/tools/correl.h @@ -1,36 +1,40 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ diff --git a/src/tools/dens_filter.c b/src/tools/dens_filter.c index d6cb073d68..0711b8c3a1 100644 --- a/src/tools/dens_filter.c +++ b/src/tools/dens_filter.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * $Id: densorder.c,v 0.9 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/dens_filter.h b/src/tools/dens_filter.h index f5942f930e..55e330f923 100644 --- a/src/tools/dens_filter.h +++ b/src/tools/dens_filter.h @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * $Id: densorder.c,v 0.9 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _dens_filter_h diff --git a/src/tools/dlist.c b/src/tools/dlist.c index 7ff0660a54..857da0c022 100644 --- a/src/tools/dlist.c +++ b/src/tools/dlist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/do_dssp.c b/src/tools/do_dssp.c index 3ddf0f9e78..124724a2b7 100644 --- a/src/tools/do_dssp.c +++ b/src/tools/do_dssp.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/editconf.c b/src/tools/editconf.c index 50a36c9ff9..d82e9a9615 100644 --- a/src/tools/editconf.c +++ b/src/tools/editconf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/edittop.c b/src/tools/edittop.c index 2be1f3d753..9c204667f6 100644 --- a/src/tools/edittop.c +++ b/src/tools/edittop.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/eigensolver.c b/src/tools/eigensolver.c index 0708a50724..0c2602f9f6 100644 --- a/src/tools/eigensolver.c +++ b/src/tools/eigensolver.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/eigensolver.h b/src/tools/eigensolver.h index 100efbfa2d..6b094cfdc1 100644 --- a/src/tools/eigensolver.h +++ b/src/tools/eigensolver.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _EIGENSOLVER_H diff --git a/src/tools/eigio.c b/src/tools/eigio.c index a55b9b8831..e5f63c7809 100644 --- a/src/tools/eigio.c +++ b/src/tools/eigio.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/eigio.h b/src/tools/eigio.h index 2869433534..c679505009 100644 --- a/src/tools/eigio.h +++ b/src/tools/eigio.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _eigio_h diff --git a/src/tools/eneconv.c b/src/tools/eneconv.c index 4c3f67c7f1..6c7d3c1e6f 100644 --- a/src/tools/eneconv.c +++ b/src/tools/eneconv.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/expfit.c b/src/tools/expfit.c index 331980151c..5e2a9a4106 100644 --- a/src/tools/expfit.c +++ b/src/tools/expfit.c @@ -1,37 +1,39 @@ /* - * $Id: expfit.c,v 1.33 2005/08/29 19:39:11 lindahl Exp $ - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/fitahx.c b/src/tools/fitahx.c index 42b40d5660..93408b9ba8 100644 --- a/src/tools/fitahx.c +++ b/src/tools/fitahx.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/fitahx.h b/src/tools/fitahx.h index 7194f90612..bb10025504 100644 --- a/src/tools/fitahx.h +++ b/src/tools/fitahx.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _fitahx_h diff --git a/src/tools/g_anadock.c b/src/tools/g_anadock.c index 5a7a7e39e9..03b954ea3e 100644 --- a/src/tools/g_anadock.c +++ b/src/tools/g_anadock.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_anaeig.c b/src/tools/g_anaeig.c index 0606309b23..3e1b854e23 100644 --- a/src/tools/g_anaeig.c +++ b/src/tools/g_anaeig.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_analyze.c b/src/tools/g_analyze.c index 08dd6baa51..bb0f30a6fc 100644 --- a/src/tools/g_analyze.c +++ b/src/tools/g_analyze.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_angle.c b/src/tools/g_angle.c index 8451a9fe52..6c04e28f02 100644 --- a/src/tools/g_angle.c +++ b/src/tools/g_angle.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_bar.c b/src/tools/g_bar.c index e20eb179db..685018918e 100644 --- a/src/tools/g_bar.c +++ b/src/tools/g_bar.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_bond.c b/src/tools/g_bond.c index 4926cba12c..dd8ff0353a 100644 --- a/src/tools/g_bond.c +++ b/src/tools/g_bond.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_bundle.c b/src/tools/g_bundle.c index 581919273a..b8c7fcbd9c 100644 --- a/src/tools/g_bundle.c +++ b/src/tools/g_bundle.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_chi.c b/src/tools/g_chi.c index 9f4997abd1..b35ceb78ae 100644 --- a/src/tools/g_chi.c +++ b/src/tools/g_chi.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_cluster.c b/src/tools/g_cluster.c index 6595d977f8..e322e79dea 100644 --- a/src/tools/g_cluster.c +++ b/src/tools/g_cluster.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_clustsize.c b/src/tools/g_clustsize.c index 3fe0c8c33b..6ad6280f10 100644 --- a/src/tools/g_clustsize.c +++ b/src/tools/g_clustsize.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_confrms.c b/src/tools/g_confrms.c index 59fcee7aab..96cefa95c0 100644 --- a/src/tools/g_confrms.c +++ b/src/tools/g_confrms.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_covar.c b/src/tools/g_covar.c index e523cf0048..1088c11547 100644 --- a/src/tools/g_covar.c +++ b/src/tools/g_covar.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_current.c b/src/tools/g_current.c index 11f9978e13..d90feaf662 100644 --- a/src/tools/g_current.c +++ b/src/tools/g_current.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_density.c b/src/tools/g_density.c index 1c2e98c207..dcbabd2cf6 100644 --- a/src/tools/g_density.c +++ b/src/tools/g_density.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_densmap.c b/src/tools/g_densmap.c index 5c65a6e85b..1ba4d42ee4 100644 --- a/src/tools/g_densmap.c +++ b/src/tools/g_densmap.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_densorder.c b/src/tools/g_densorder.c index 7a9fbcc568..681a514a04 100644 --- a/src/tools/g_densorder.c +++ b/src/tools/g_densorder.c @@ -1,37 +1,39 @@ /* - * $Id: g_densorder.c,v 0.95 2009/06/15 bjornss Exp $ - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_dielectric.c b/src/tools/g_dielectric.c index f067ca0a73..a2dfe71a40 100644 --- a/src/tools/g_dielectric.c +++ b/src/tools/g_dielectric.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_dih.c b/src/tools/g_dih.c index e162820141..5b6b448438 100644 --- a/src/tools/g_dih.c +++ b/src/tools/g_dih.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_dipoles.c b/src/tools/g_dipoles.c index 1411062cf2..b56f673764 100644 --- a/src/tools/g_dipoles.c +++ b/src/tools/g_dipoles.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_disre.c b/src/tools/g_disre.c index 8537f8e4fc..d3e4776dfd 100644 --- a/src/tools/g_disre.c +++ b/src/tools/g_disre.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_dist.c b/src/tools/g_dist.c index 18e170ff5b..b18873c5bb 100644 --- a/src/tools/g_dist.c +++ b/src/tools/g_dist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_dos.c b/src/tools/g_dos.c index eaf72e4d7b..fa5fd6a62e 100644 --- a/src/tools/g_dos.c +++ b/src/tools/g_dos.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_dyecoupl.c b/src/tools/g_dyecoupl.c index 73a5d329e0..a5b4de5b40 100644 --- a/src/tools/g_dyecoupl.c +++ b/src/tools/g_dyecoupl.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/g_dyndom.c b/src/tools/g_dyndom.c index ab7eff6593..0f6e1974eb 100644 --- a/src/tools/g_dyndom.c +++ b/src/tools/g_dyndom.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_enemat.c b/src/tools/g_enemat.c index 2fbb4e382a..0ced8a1c49 100644 --- a/src/tools/g_enemat.c +++ b/src/tools/g_enemat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_energy.c b/src/tools/g_energy.c index f7bcd8658e..7b4c586196 100644 --- a/src/tools/g_energy.c +++ b/src/tools/g_energy.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_filter.c b/src/tools/g_filter.c index 877baf3afd..c261768314 100644 --- a/src/tools/g_filter.c +++ b/src/tools/g_filter.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_gyrate.c b/src/tools/g_gyrate.c index aa99e7af5d..5560101326 100644 --- a/src/tools/g_gyrate.c +++ b/src/tools/g_gyrate.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_h2order.c b/src/tools/g_h2order.c index f56eeb290c..392915209b 100644 --- a/src/tools/g_h2order.c +++ b/src/tools/g_h2order.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_hbond.c b/src/tools/g_hbond.c index 3c5634db0c..84a5cfff67 100644 --- a/src/tools/g_hbond.c +++ b/src/tools/g_hbond.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_helix.c b/src/tools/g_helix.c index 6b23336414..ff0765723a 100644 --- a/src/tools/g_helix.c +++ b/src/tools/g_helix.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_helixorient.c b/src/tools/g_helixorient.c index 6fc76b5f14..d2938e459d 100644 --- a/src/tools/g_helixorient.c +++ b/src/tools/g_helixorient.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_hydorder.c b/src/tools/g_hydorder.c index 91cdd5bf5e..063c08ac86 100644 --- a/src/tools/g_hydorder.c +++ b/src/tools/g_hydorder.c @@ -1,37 +1,39 @@ /* - * $Id: g_hydorder.c,v 1.1 2009/05/15 12:00:17 bjornss Exp $ - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.0.99 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_kinetics.c b/src/tools/g_kinetics.c index 2754c2d2e4..48d2bf9f95 100644 --- a/src/tools/g_kinetics.c +++ b/src/tools/g_kinetics.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_lie.c b/src/tools/g_lie.c index 4e148e6837..1d84d8e0d7 100644 --- a/src/tools/g_lie.c +++ b/src/tools/g_lie.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_mdmat.c b/src/tools/g_mdmat.c index f477b729ec..1af955c559 100644 --- a/src/tools/g_mdmat.c +++ b/src/tools/g_mdmat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_membed.c b/src/tools/g_membed.c index 9e0b7e9f74..e2e5c5d1cd 100644 --- a/src/tools/g_membed.c +++ b/src/tools/g_membed.c @@ -1,36 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.0.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_mindist.c b/src/tools/g_mindist.c index bf062a3101..c2e3ea0f7b 100644 --- a/src/tools/g_mindist.c +++ b/src/tools/g_mindist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_morph.c b/src/tools/g_morph.c index 0f323eccf0..51037725a3 100644 --- a/src/tools/g_morph.c +++ b/src/tools/g_morph.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_msd.c b/src/tools/g_msd.c index 5215b0668a..b6c0dc823c 100644 --- a/src/tools/g_msd.c +++ b/src/tools/g_msd.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_nmeig.c b/src/tools/g_nmeig.c index ac91105f9f..9e3b093257 100644 --- a/src/tools/g_nmeig.c +++ b/src/tools/g_nmeig.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_nmens.c b/src/tools/g_nmens.c index 312b0ad1e6..10ce64de3b 100644 --- a/src/tools/g_nmens.c +++ b/src/tools/g_nmens.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_nmtraj.c b/src/tools/g_nmtraj.c index 02167da908..5dfbcf48b4 100644 --- a/src/tools/g_nmtraj.c +++ b/src/tools/g_nmtraj.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_options.c b/src/tools/g_options.c index 4893f4f9d4..84076f49c5 100644 --- a/src/tools/g_options.c +++ b/src/tools/g_options.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_order.c b/src/tools/g_order.c index 2dbc8f06ed..d43475ec18 100644 --- a/src/tools/g_order.c +++ b/src/tools/g_order.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_pme_error.c b/src/tools/g_pme_error.c index 6eb36b1daa..f0c5aed3bb 100644 --- a/src/tools/g_pme_error.c +++ b/src/tools/g_pme_error.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/g_polystat.c b/src/tools/g_polystat.c index 1485aaef4b..d8d1f3b058 100644 --- a/src/tools/g_polystat.c +++ b/src/tools/g_polystat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_potential.c b/src/tools/g_potential.c index 1b7cd13c1f..45d32fdb5d 100644 --- a/src/tools/g_potential.c +++ b/src/tools/g_potential.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_principal.c b/src/tools/g_principal.c index d150f683cb..904995b311 100644 --- a/src/tools/g_principal.c +++ b/src/tools/g_principal.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_rama.c b/src/tools/g_rama.c index daec911baf..3349001e1b 100644 --- a/src/tools/g_rama.c +++ b/src/tools/g_rama.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_rdf.c b/src/tools/g_rdf.c index 8efc47ceee..527a435d3e 100644 --- a/src/tools/g_rdf.c +++ b/src/tools/g_rdf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_rms.c b/src/tools/g_rms.c index 4f3ec2538a..eea36c069c 100644 --- a/src/tools/g_rms.c +++ b/src/tools/g_rms.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_rmsdist.c b/src/tools/g_rmsdist.c index afa4283b91..495da9bf08 100644 --- a/src/tools/g_rmsdist.c +++ b/src/tools/g_rmsdist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_rmsf.c b/src/tools/g_rmsf.c index 13f01d550d..f936e2eb7a 100644 --- a/src/tools/g_rmsf.c +++ b/src/tools/g_rmsf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_rotacf.c b/src/tools/g_rotacf.c index 8179bfbb8c..58f1fd6e21 100644 --- a/src/tools/g_rotacf.c +++ b/src/tools/g_rotacf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_rotmat.c b/src/tools/g_rotmat.c index 5c0b50c5c5..19a0e297c0 100644 --- a/src/tools/g_rotmat.c +++ b/src/tools/g_rotmat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_saltbr.c b/src/tools/g_saltbr.c index 9635ca24fb..dcbafeae7d 100644 --- a/src/tools/g_saltbr.c +++ b/src/tools/g_saltbr.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_sans.c b/src/tools/g_sans.c index ef6802f4d7..9f5893d63a 100644 --- a/src/tools/g_sans.c +++ b/src/tools/g_sans.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_sas.c b/src/tools/g_sas.c index 572444f939..8de259535b 100644 --- a/src/tools/g_sas.c +++ b/src/tools/g_sas.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_select.c b/src/tools/g_select.c index 39a880587a..d86fcb8922 100644 --- a/src/tools/g_select.c +++ b/src/tools/g_select.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \file * \brief Utility program for writing out basic data for selections. diff --git a/src/tools/g_sgangle.c b/src/tools/g_sgangle.c index d2921fd2c6..4117e8928f 100644 --- a/src/tools/g_sgangle.c +++ b/src/tools/g_sgangle.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_sham.c b/src/tools/g_sham.c index cf327c5bd8..54be9f1d13 100644 --- a/src/tools/g_sham.c +++ b/src/tools/g_sham.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_sigeps.c b/src/tools/g_sigeps.c index 335f99cc55..4e0f14f81c 100644 --- a/src/tools/g_sigeps.c +++ b/src/tools/g_sigeps.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_sorient.c b/src/tools/g_sorient.c index 80352c69f2..11a2abc96e 100644 --- a/src/tools/g_sorient.c +++ b/src/tools/g_sorient.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_spatial.c b/src/tools/g_spatial.c index e1b7796344..4d188e380b 100644 --- a/src/tools/g_spatial.c +++ b/src/tools/g_spatial.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_spol.c b/src/tools/g_spol.c index e293791cbb..17dd7cf525 100644 --- a/src/tools/g_spol.c +++ b/src/tools/g_spol.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_tcaf.c b/src/tools/g_tcaf.c index 1d797a14a6..bd09f3d03d 100644 --- a/src/tools/g_tcaf.c +++ b/src/tools/g_tcaf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_traj.c b/src/tools/g_traj.c index 2967d3d772..22ca8634f7 100644 --- a/src/tools/g_traj.c +++ b/src/tools/g_traj.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_tune_pme.c b/src/tools/g_tune_pme.c index 6c30c293bb..e7e58c49d4 100644 --- a/src/tools/g_tune_pme.c +++ b/src/tools/g_tune_pme.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/g_vanhove.c b/src/tools/g_vanhove.c index 1c6c1261a2..07b2ca1305 100644 --- a/src/tools/g_vanhove.c +++ b/src/tools/g_vanhove.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_velacc.c b/src/tools/g_velacc.c index 7966957fef..fc25cd9799 100644 --- a/src/tools/g_velacc.c +++ b/src/tools/g_velacc.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_wham.c b/src/tools/g_wham.c index 7ff98e64db..5638ad0b70 100644 --- a/src/tools/g_wham.c +++ b/src/tools/g_wham.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/g_wheel.c b/src/tools/g_wheel.c index 127388b385..24a8f9fa48 100644 --- a/src/tools/g_wheel.c +++ b/src/tools/g_wheel.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/geminate.c b/src/tools/geminate.c index e813551f03..49d7598c1c 100644 --- a/src/tools/geminate.c +++ b/src/tools/geminate.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 4.5 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/genbox.c b/src/tools/genbox.c index 801a2e60c7..bc9c7c47b4 100644 --- a/src/tools/genbox.c +++ b/src/tools/genbox.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/genconf.c b/src/tools/genconf.c index 5fc1c7a24d..4aeffbb183 100644 --- a/src/tools/genconf.c +++ b/src/tools/genconf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/genion.c b/src/tools/genion.c index 4395195a7f..a0cf9fce9f 100644 --- a/src/tools/genion.c +++ b/src/tools/genion.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/genrestr.c b/src/tools/genrestr.c index ab43cc551c..4964e6faf0 100644 --- a/src/tools/genrestr.c +++ b/src/tools/genrestr.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_anaeig.c b/src/tools/gmx_anaeig.c index a6d31cf8b7..4e46a9d4a1 100644 --- a/src/tools/gmx_anaeig.c +++ b/src/tools/gmx_anaeig.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_analyze.c b/src/tools/gmx_analyze.c index 97774b2d78..d75854ee67 100644 --- a/src/tools/gmx_analyze.c +++ b/src/tools/gmx_analyze.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_angle.c b/src/tools/gmx_angle.c index af00d91757..3f290d6dce 100644 --- a/src/tools/gmx_angle.c +++ b/src/tools/gmx_angle.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_bar.c b/src/tools/gmx_bar.c index d6df8fa845..76446cdc27 100644 --- a/src/tools/gmx_bar.c +++ b/src/tools/gmx_bar.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_bond.c b/src/tools/gmx_bond.c index 17f5b20de2..772659483b 100644 --- a/src/tools/gmx_bond.c +++ b/src/tools/gmx_bond.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_bundle.c b/src/tools/gmx_bundle.c index a0a002c1aa..0bfe748aa3 100644 --- a/src/tools/gmx_bundle.c +++ b/src/tools/gmx_bundle.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_chi.c b/src/tools/gmx_chi.c index 13559df987..ed8148e139 100644 --- a/src/tools/gmx_chi.c +++ b/src/tools/gmx_chi.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_cluster.c b/src/tools/gmx_cluster.c index 14a607fbd5..c5e4f7a23d 100644 --- a/src/tools/gmx_cluster.c +++ b/src/tools/gmx_cluster.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_clustsize.c b/src/tools/gmx_clustsize.c index aeca8d6955..058da66bf4 100644 --- a/src/tools/gmx_clustsize.c +++ b/src/tools/gmx_clustsize.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.2 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2007, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_confrms.c b/src/tools/gmx_confrms.c index c72ca88e03..eece825568 100644 --- a/src/tools/gmx_confrms.c +++ b/src/tools/gmx_confrms.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_covar.c b/src/tools/gmx_covar.c index 551990dfd7..c16768cfea 100644 --- a/src/tools/gmx_covar.c +++ b/src/tools/gmx_covar.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_current.c b/src/tools/gmx_current.c index cc07fd6eaa..0ec9b7000d 100644 --- a/src/tools/gmx_current.c +++ b/src/tools/gmx_current.c @@ -1,39 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * VERSION 3.0 + * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed - * - * finished FD 09/07/08 + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_density.c b/src/tools/gmx_density.c index b1534b0869..6a7b1fb29d 100644 --- a/src/tools/gmx_density.c +++ b/src/tools/gmx_density.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_densmap.c b/src/tools/gmx_densmap.c index 94b7003c1a..cf0c9dc633 100644 --- a/src/tools/gmx_densmap.c +++ b/src/tools/gmx_densmap.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_densorder.c b/src/tools/gmx_densorder.c index 7d7a9591b2..a136ab6a41 100644 --- a/src/tools/gmx_densorder.c +++ b/src/tools/gmx_densorder.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * $Id: densorder.c,v 0.9 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/gmx_dielectric.c b/src/tools/gmx_dielectric.c index 24554ec49d..0792ad4b49 100644 --- a/src/tools/gmx_dielectric.c +++ b/src/tools/gmx_dielectric.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_dih.c b/src/tools/gmx_dih.c index 706a168f24..795621064d 100644 --- a/src/tools/gmx_dih.c +++ b/src/tools/gmx_dih.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_dipoles.c b/src/tools/gmx_dipoles.c index d7cd26ed09..a8ef27fd4e 100644 --- a/src/tools/gmx_dipoles.c +++ b/src/tools/gmx_dipoles.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_disre.c b/src/tools/gmx_disre.c index 6a8935c667..0070da39d3 100644 --- a/src/tools/gmx_disre.c +++ b/src/tools/gmx_disre.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_dist.c b/src/tools/gmx_dist.c index 9e38c42aa6..14b74cdea2 100644 --- a/src/tools/gmx_dist.c +++ b/src/tools/gmx_dist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_dos.c b/src/tools/gmx_dos.c index 2192b71c38..64ab6eaa1f 100644 --- a/src/tools/gmx_dos.c +++ b/src/tools/gmx_dos.c @@ -1,36 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_dyecoupl.c b/src/tools/gmx_dyecoupl.c index f0258daf3e..9aa9d45997 100644 --- a/src/tools/gmx_dyecoupl.c +++ b/src/tools/gmx_dyecoupl.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #include #include diff --git a/src/tools/gmx_dyndom.c b/src/tools/gmx_dyndom.c index 235a02678e..2fda812f2a 100644 --- a/src/tools/gmx_dyndom.c +++ b/src/tools/gmx_dyndom.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_editconf.c b/src/tools/gmx_editconf.c index 541e730459..f9343753e9 100644 --- a/src/tools/gmx_editconf.c +++ b/src/tools/gmx_editconf.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_eneconv.c b/src/tools/gmx_eneconv.c index ab4ec496c7..411181a91f 100644 --- a/src/tools/gmx_eneconv.c +++ b/src/tools/gmx_eneconv.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_enemat.c b/src/tools/gmx_enemat.c index 077b885ce6..6da67dd0ec 100644 --- a/src/tools/gmx_enemat.c +++ b/src/tools/gmx_enemat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_energy.c b/src/tools/gmx_energy.c index 83c00bf2a7..25b8b8b223 100644 --- a/src/tools/gmx_energy.c +++ b/src/tools/gmx_energy.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_filter.c b/src/tools/gmx_filter.c index ba2e4d5453..b016458f42 100644 --- a/src/tools/gmx_filter.c +++ b/src/tools/gmx_filter.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_genbox.c b/src/tools/gmx_genbox.c index ff91f8bc66..029f1279d4 100644 --- a/src/tools/gmx_genbox.c +++ b/src/tools/gmx_genbox.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_genconf.c b/src/tools/gmx_genconf.c index 69afd39a01..ac339b0d3e 100644 --- a/src/tools/gmx_genconf.c +++ b/src/tools/gmx_genconf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_genion.c b/src/tools/gmx_genion.c index 6f4c447210..3f74fde273 100644 --- a/src/tools/gmx_genion.c +++ b/src/tools/gmx_genion.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_genpr.c b/src/tools/gmx_genpr.c index 658d69c760..705d7a5da3 100644 --- a/src/tools/gmx_genpr.c +++ b/src/tools/gmx_genpr.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_gyrate.c b/src/tools/gmx_gyrate.c index ddfdcedfb8..79d06c3761 100644 --- a/src/tools/gmx_gyrate.c +++ b/src/tools/gmx_gyrate.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_h2order.c b/src/tools/gmx_h2order.c index 871730bf4a..2635dd209a 100644 --- a/src/tools/gmx_h2order.c +++ b/src/tools/gmx_h2order.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_hbond.c b/src/tools/gmx_hbond.c index ea53b9d95c..aae0d5bd88 100644 --- a/src/tools/gmx_hbond.c +++ b/src/tools/gmx_hbond.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.3 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_helix.c b/src/tools/gmx_helix.c index 905fa4e1b4..e1165e29b3 100644 --- a/src/tools/gmx_helix.c +++ b/src/tools/gmx_helix.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_helixorient.c b/src/tools/gmx_helixorient.c index b3359e0eb8..035e07431b 100644 --- a/src/tools/gmx_helixorient.c +++ b/src/tools/gmx_helixorient.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_hydorder.c b/src/tools/gmx_hydorder.c index c0d8408467..4d77c6780d 100644 --- a/src/tools/gmx_hydorder.c +++ b/src/tools/gmx_hydorder.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * $Id: densorder.c,v 0.9 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/gmx_kinetics.c b/src/tools/gmx_kinetics.c index a5ecf7632d..81317deeef 100644 --- a/src/tools/gmx_kinetics.c +++ b/src/tools/gmx_kinetics.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_lie.c b/src/tools/gmx_lie.c index 2eff860505..583b46ee7e 100644 --- a/src/tools/gmx_lie.c +++ b/src/tools/gmx_lie.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_mdmat.c b/src/tools/gmx_mdmat.c index 5517e980d9..eb0c6d16c8 100644 --- a/src/tools/gmx_mdmat.c +++ b/src/tools/gmx_mdmat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_membed.c b/src/tools/gmx_membed.c index ebc824573f..c3567e222a 100644 --- a/src/tools/gmx_membed.c +++ b/src/tools/gmx_membed.c @@ -1,35 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_mindist.c b/src/tools/gmx_mindist.c index 1e30d5cf44..c37a7b5938 100644 --- a/src/tools/gmx_mindist.c +++ b/src/tools/gmx_mindist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_morph.c b/src/tools/gmx_morph.c index ae87c8a20f..64e86d53fd 100644 --- a/src/tools/gmx_morph.c +++ b/src/tools/gmx_morph.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_msd.c b/src/tools/gmx_msd.c index e5b3a22573..daf8885868 100644 --- a/src/tools/gmx_msd.c +++ b/src/tools/gmx_msd.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_nmeig.c b/src/tools/gmx_nmeig.c index febc81f5da..1163e3082a 100644 --- a/src/tools/gmx_nmeig.c +++ b/src/tools/gmx_nmeig.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_nmens.c b/src/tools/gmx_nmens.c index 3a925e54cd..f82a6a31a2 100644 --- a/src/tools/gmx_nmens.c +++ b/src/tools/gmx_nmens.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_nmtraj.c b/src/tools/gmx_nmtraj.c index 5eb3eef5cb..d02744bd78 100644 --- a/src/tools/gmx_nmtraj.c +++ b/src/tools/gmx_nmtraj.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_options.c b/src/tools/gmx_options.c index fcb12e8774..73a7462aca 100644 --- a/src/tools/gmx_options.c +++ b/src/tools/gmx_options.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.99_development_20071104 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2006, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_order.c b/src/tools/gmx_order.c index 64b62728cf..aae2d11db0 100644 --- a/src/tools/gmx_order.c +++ b/src/tools/gmx_order.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_pme_error.c b/src/tools/gmx_pme_error.c index 1e7c59082f..c500fc1c69 100644 --- a/src/tools/gmx_pme_error.c +++ b/src/tools/gmx_pme_error.c @@ -1,34 +1,39 @@ /* - * This source code is part of + * This file is part of the GROMACS molecular simulation package. * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #include "statutil.h" #include "typedefs.h" diff --git a/src/tools/gmx_polystat.c b/src/tools/gmx_polystat.c index 350b0cf375..cb9ed63566 100644 --- a/src/tools/gmx_polystat.c +++ b/src/tools/gmx_polystat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_potential.c b/src/tools/gmx_potential.c index 748ee85ecd..a1cb2e9fa7 100644 --- a/src/tools/gmx_potential.c +++ b/src/tools/gmx_potential.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_principal.c b/src/tools/gmx_principal.c index d6b8b49112..dc1bd7c293 100644 --- a/src/tools/gmx_principal.c +++ b/src/tools/gmx_principal.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_rama.c b/src/tools/gmx_rama.c index 9f0997c879..77feacac53 100644 --- a/src/tools/gmx_rama.c +++ b/src/tools/gmx_rama.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_rdf.c b/src/tools/gmx_rdf.c index 4c0b3a7bfd..21e6b6da99 100644 --- a/src/tools/gmx_rdf.c +++ b/src/tools/gmx_rdf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/gmx_rms.c b/src/tools/gmx_rms.c index ea1efb1343..066a6b01db 100644 --- a/src/tools/gmx_rms.c +++ b/src/tools/gmx_rms.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_rmsdist.c b/src/tools/gmx_rmsdist.c index 5547be664b..984cf9765f 100644 --- a/src/tools/gmx_rmsdist.c +++ b/src/tools/gmx_rmsdist.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_rmsf.c b/src/tools/gmx_rmsf.c index 2fabc1e6ec..321d6b099d 100644 --- a/src/tools/gmx_rmsf.c +++ b/src/tools/gmx_rmsf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_rotacf.c b/src/tools/gmx_rotacf.c index d8348cf1b3..76b0ee017d 100644 --- a/src/tools/gmx_rotacf.c +++ b/src/tools/gmx_rotacf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_rotmat.c b/src/tools/gmx_rotmat.c index eea8137ff3..9422f2d6f7 100644 --- a/src/tools/gmx_rotmat.c +++ b/src/tools/gmx_rotmat.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_saltbr.c b/src/tools/gmx_saltbr.c index 1d60aeea44..6bb6c7d77f 100644 --- a/src/tools/gmx_saltbr.c +++ b/src/tools/gmx_saltbr.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_sans.c b/src/tools/gmx_sans.c index fcf99c8e75..7ca28ce89f 100644 --- a/src/tools/gmx_sans.c +++ b/src/tools/gmx_sans.c @@ -1,36 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/gmx_sas.c b/src/tools/gmx_sas.c index d486c36ed4..f2e78da8f3 100644 --- a/src/tools/gmx_sas.c +++ b/src/tools/gmx_sas.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.2 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2007, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_select.c b/src/tools/gmx_select.c index d1fcbb51b5..2e85f6cba9 100644 --- a/src/tools/gmx_select.c +++ b/src/tools/gmx_select.c @@ -1,32 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2009, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ /*! \example gmx_select.c * \brief Utility/example program for writing out basic data for selections. diff --git a/src/tools/gmx_sgangle.c b/src/tools/gmx_sgangle.c index 8dce7a27e3..c9b0259ea3 100644 --- a/src/tools/gmx_sgangle.c +++ b/src/tools/gmx_sgangle.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_sham.c b/src/tools/gmx_sham.c index 6b8479cf53..d0ad92710f 100644 --- a/src/tools/gmx_sham.c +++ b/src/tools/gmx_sham.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_sorient.c b/src/tools/gmx_sorient.c index 3a2a00d1c3..5a14e122a4 100644 --- a/src/tools/gmx_sorient.c +++ b/src/tools/gmx_sorient.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_spatial.c b/src/tools/gmx_spatial.c index 8de82473c4..813d0a60a5 100644 --- a/src/tools/gmx_spatial.c +++ b/src/tools/gmx_spatial.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_spol.c b/src/tools/gmx_spol.c index dc99082a5d..97e62c7561 100644 --- a/src/tools/gmx_spol.c +++ b/src/tools/gmx_spol.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_tcaf.c b/src/tools/gmx_tcaf.c index b644870479..8db80383ff 100644 --- a/src/tools/gmx_tcaf.c +++ b/src/tools/gmx_tcaf.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_traj.c b/src/tools/gmx_traj.c index 9fd6516e73..6444ff95b5 100644 --- a/src/tools/gmx_traj.c +++ b/src/tools/gmx_traj.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- +/* + * This file is part of the GROMACS molecular simulation package. * - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_trjcat.c b/src/tools/gmx_trjcat.c index dca2ed3878..4edae1759b 100644 --- a/src/tools/gmx_trjcat.c +++ b/src/tools/gmx_trjcat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_trjconv.c b/src/tools/gmx_trjconv.c index 209a122ff7..0e935a7c80 100644 --- a/src/tools/gmx_trjconv.c +++ b/src/tools/gmx_trjconv.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_trjorder.c b/src/tools/gmx_trjorder.c index 6c2d7c2c48..1147bbc5ef 100644 --- a/src/tools/gmx_trjorder.c +++ b/src/tools/gmx_trjorder.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_tune_pme.c b/src/tools/gmx_tune_pme.c index d2d7a4b215..574a85bc56 100644 --- a/src/tools/gmx_tune_pme.c +++ b/src/tools/gmx_tune_pme.c @@ -1,35 +1,39 @@ /* - * - * This source code is part of + * This file is part of the GROMACS molecular simulation package. * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2008, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_vanhove.c b/src/tools/gmx_vanhove.c index aa458cddb1..59e1c738e4 100644 --- a/src/tools/gmx_vanhove.c +++ b/src/tools/gmx_vanhove.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_velacc.c b/src/tools/gmx_velacc.c index 257f44a4f8..ab462dc0f8 100644 --- a/src/tools/gmx_velacc.c +++ b/src/tools/gmx_velacc.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_wham.c b/src/tools/gmx_wham.c index b0df718d04..3af6407104 100644 --- a/src/tools/gmx_wham.c +++ b/src/tools/gmx_wham.c @@ -1,37 +1,40 @@ /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- */ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/gmx_wheel.c b/src/tools/gmx_wheel.c index 513cc093aa..0d75eacf69 100644 --- a/src/tools/gmx_wheel.c +++ b/src/tools/gmx_wheel.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/gmx_xpm2ps.c b/src/tools/gmx_xpm2ps.c index 317a736c5e..b4ca08419a 100644 --- a/src/tools/gmx_xpm2ps.c +++ b/src/tools/gmx_xpm2ps.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/hxprops.c b/src/tools/hxprops.c index 1975a89c88..5f691dacaa 100644 --- a/src/tools/hxprops.c +++ b/src/tools/hxprops.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/hxprops.h b/src/tools/hxprops.h index 6cee696521..204e3c572c 100644 --- a/src/tools/hxprops.h +++ b/src/tools/hxprops.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _hxprops_h diff --git a/src/tools/interf.h b/src/tools/interf.h index 841dc2bf76..34f920ce9f 100644 --- a/src/tools/interf.h +++ b/src/tools/interf.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _interf_h diff --git a/src/tools/levenmar.c b/src/tools/levenmar.c index 63ff58fac7..ea7bf024ca 100644 --- a/src/tools/levenmar.c +++ b/src/tools/levenmar.c @@ -1,37 +1,39 @@ /* - * $Id: levenmar.c,v 1.20 2004/01/23 18:11:02 lindahl Exp $ - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/make_ndx.c b/src/tools/make_ndx.c index b50749a04a..9db1eb172a 100644 --- a/src/tools/make_ndx.c +++ b/src/tools/make_ndx.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/mk_angndx.c b/src/tools/mk_angndx.c index fbc6478b6e..b2a91c290d 100644 --- a/src/tools/mk_angndx.c +++ b/src/tools/mk_angndx.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/nsc.c b/src/tools/nsc.c index bba8cf99a5..d1099e92e3 100644 --- a/src/tools/nsc.c +++ b/src/tools/nsc.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.3.2 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2007, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Groningen Machine for Chemical Simulation + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/nsc.h b/src/tools/nsc.h index e0dd57f377..147b152d6c 100644 --- a/src/tools/nsc.h +++ b/src/tools/nsc.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #include "typedefs.h" diff --git a/src/tools/nsfactor.c b/src/tools/nsfactor.c index 863b658e6e..c3f8027f3c 100644 --- a/src/tools/nsfactor.c +++ b/src/tools/nsfactor.c @@ -1,36 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * GROningen Mixture of Alchemy and Childrens' Stories + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/nsfactor.h b/src/tools/nsfactor.h index 3e6e5fa562..0923299d30 100644 --- a/src/tools/nsfactor.h +++ b/src/tools/nsfactor.h @@ -1,36 +1,39 @@ /* + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * For more info, check our website at http://www.gromacs.org + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * And Hey: - * Gromacs Runs On Most of All Computer Systems + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _nsfactor_h diff --git a/src/tools/polynomials.c b/src/tools/polynomials.c index 310d365365..11d99d2569 100644 --- a/src/tools/polynomials.c +++ b/src/tools/polynomials.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/powerspect.c b/src/tools/powerspect.c index 3366e48adf..8df91f84b3 100644 --- a/src/tools/powerspect.c +++ b/src/tools/powerspect.c @@ -1,37 +1,39 @@ -/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- - * $Id: densorder.c,v 0.9 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.0 - * +/* + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . - * - * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H diff --git a/src/tools/powerspect.h b/src/tools/powerspect.h index 62d1108a9e..ae176ec447 100644 --- a/src/tools/powerspect.h +++ b/src/tools/powerspect.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _powerspect_h diff --git a/src/tools/pp2shift.c b/src/tools/pp2shift.c index fb702a4f71..3fc581f5db 100644 --- a/src/tools/pp2shift.c +++ b/src/tools/pp2shift.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/pp2shift.h b/src/tools/pp2shift.h index d61b532eb9..5f2348b609 100644 --- a/src/tools/pp2shift.h +++ b/src/tools/pp2shift.h @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifndef _pp2shift_h diff --git a/src/tools/trjcat.c b/src/tools/trjcat.c index efa9e1c1bc..36b1100be2 100644 --- a/src/tools/trjcat.c +++ b/src/tools/trjcat.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/trjconv.c b/src/tools/trjconv.c index a9f136cbc1..42fbd6c734 100644 --- a/src/tools/trjconv.c +++ b/src/tools/trjconv.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/trjorder.c b/src/tools/trjorder.c index f51604220f..82f32dcb1d 100644 --- a/src/tools/trjorder.c +++ b/src/tools/trjorder.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/src/tools/xpm2ps.c b/src/tools/xpm2ps.c index f3a95fe961..a15fb7e6e5 100644 --- a/src/tools/xpm2ps.c +++ b/src/tools/xpm2ps.c @@ -1,36 +1,39 @@ /* - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * VERSION 3.2.0 - * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. + * This file is part of the GROMACS molecular simulation package. + * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team, * check out http://www.gromacs.org for more information. - - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU General Public License - * as published by the Free Software Foundation; either version 2 + * Copyright (c) 2012, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. + * + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. - * - * If you want to redistribute modifications, please consider that - * scientific software is very special. Version control is crucial - - * bugs must be traceable. We will be happy to consider code for - * inclusion in the official distribution, but derived work must not - * be called official GROMACS. Details are found in the README & COPYING - * files - if they are missing, get the official version at www.gromacs.org. - * + * + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. + * + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + * + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. + * * To help us fund GROMACS development, we humbly ask that you cite - * the papers on the package - you can find them in the top README file. - * - * For more info, check our website at http://www.gromacs.org - * - * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * the research papers on the package. Check out http://www.gromacs.org. */ #ifdef HAVE_CONFIG_H #include diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt index e7a39ae99c..b7b44ddc7a 100644 --- a/tests/CMakeLists.txt +++ b/tests/CMakeLists.txt @@ -1,2 +1,36 @@ +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2012, by the GROMACS development team, led by +# David van der Spoel, Berk Hess, Erik Lindahl, and including many +# others, as listed in the AUTHORS file in the top-level source +# directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. +# enable_testing() add_test(TestExec_mdrun-h ../src/kernel/mdrun -h)